Basic information
- CAS
10163-84-5- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccno1- InChIKey
RBGXPUBOKUORNP-SPHVDITISA-N- Molecular formula
- C22H31NO2
- Average molar mass
- 341.5 g/mol
- Monoisotopic mass
- 341.23547923
Names & identifiers
- Preferred name
- 17beta-(1,2-Oxazol-5-yl)androst-5-en-3beta-ol
- IUPAC
- (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(1,2-oxazol-5-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Names & synonyms
10163-84-5NSC68288DTXSID201240217NSC-6828817beta-(1,2-Oxazol-5-yl)androst-5-en-3beta-olAndrost-5-en-3-ol, 17-(5-isoxazolyl)-, (3I(2),17I(2))-
Database identifiers
- CAS
10163-84-5- PubChem CID
- 249706
- DTXSID
DTXSID201240217
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 574
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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