1,2-Oxazol-4-ol
PubChem CID: 13117012
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| Compound Synonyms | isoxazol-4-ol, 4-hydroxyisoxazole, 80348-66-9, 1,2-oxazol-4-ol, MFCD18909313, 4-Isoxazolol, DTXSID30902402, ABFBKQBATYREHU-UHFFFAOYSA-N, AKOS026730116, AT21052, SY147548, DB-003491, CS-0224031, EN300-117533, 856-410-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 46.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | Occonc5 |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Azoles |
| Scaffold Graph Node Level | C1CNOC1 |
| Classyfire Subclass | Isoxazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 48.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-oxazol-4-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C3H3NO2 |
| Scaffold Graph Node Bond Level | c1cnoc1 |
| Inchi Key | ABFBKQBATYREHU-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 4-hydroxyisoxazole |
| Esol Class | Very soluble |
| Functional Groups | cO, cnoc |
| Compound Name | 1,2-Oxazol-4-ol |
| Exact Mass | 85.0164 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 85.0164 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 85.06 |
| 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/C3H3NO2/c5-3-1-4-6-2-3/h1-2,5H |
| Smiles | C1=C(C=NO1)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Triumfetta Rhomboidea (Plant) Rel Props:Reference:ISBN:9788172363178