5-Phenyl-1,3-oxazolidin-2-one
PubChem CID: 202193
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| Compound Synonyms | Resedine, 7693-77-8, 5-Phenyloxazolidin-2-one, 5-Phenyl-2-oxazolidinone, 5-phenyl-1,3-oxazolidin-2-one, 2-Oxazolidinone, 5-phenyl-, MFCD01747962, 5-phenyl-oxazolidin-2-one, 5-PHENYL-2-OXAZOLIDONE, 5-Phenyl-1,3-oxazolidin-2-one (~90%), SCHEMBL4429, DTXSID40998215, ARILQDNHZGKJBK-UHFFFAOYSA-N, AKOS006239546, BS-49386, FP146953, SY043174, 5-Phenyl-4,5-dihydro-1,3-oxazol-2-ol, DB-075213, CS-0455553, EN300-64843, E78601, NCGC00385917-01!5-phenyl-1,3-oxazolidin-2-one, 835-854-0 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C2CCCCC2)C1 |
| Deep Smiles | O=CNCCO5)cccccc6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Azolidines |
| Scaffold Graph Node Level | OC1NCC(C2CCCCC2)O1 |
| Classyfire Subclass | Oxazolidines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 175.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-phenyl-1,3-oxazolidin-2-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H9NO2 |
| Scaffold Graph Node Bond Level | O=C1NCC(c2ccccc2)O1 |
| Inchi Key | ARILQDNHZGKJBK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | resedine |
| Esol Class | Very soluble |
| Functional Groups | O=C1NCCO1 |
| Compound Name | 5-Phenyl-1,3-oxazolidin-2-one |
| Exact Mass | 163.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 163.063 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 163.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H9NO2/c11-9-10-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11) |
| Smiles | C1C(OC(=O)N1)C2=CC=CC=C2 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Reseda Luteola (Plant) Rel Props:Reference:ISBN:9788185042084