Isoxazoles
PubChem CID: 9254
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| Compound Synonyms | ISOXAZOLE, 288-14-2, 1,2-oxazole, Isooxazole, 1-Oxa-2-azacyclopentadiene, Isoxazoles, 2-azafuran, UNII-00SRW0M6PW, 00SRW0M6PW, MFCD00003149, CHEBI:35595, EINECS 206-018-7, NSC 137774, NSC-137774, DTXSID7059775, 1,2-oxazoles, Isoxazole, 99%, 1Oxa2azacyclopentadiene, CHEMBL13257, DTXCID9037874, CHEBI:55373, STR08895, NSC137774, STL168868, AKOS005254996, CS-W011365, FI02593, HY-W010649, AC-16452, BP-21289, DB-016151, I0372, NS00021989, EN300-31051, F14866, I13100, Q899683, F0001-0901, 206-018-7 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | cccno5 |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Azoles |
| Scaffold Graph Node Level | C1CNOC1 |
| Classyfire Subclass | Isoxazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 30.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-oxazole |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C3H3NO |
| Scaffold Graph Node Bond Level | c1cnoc1 |
| Inchi Key | CTAPFRYPJLPFDF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | isoxazole |
| Esol Class | Very soluble |
| Functional Groups | cnoc |
| Compound Name | Isoxazoles |
| Exact Mass | 69.0215 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 69.0215 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 69.06 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H |
| Smiles | C1=CON=C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
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