(4S,5R)-4-phenylmethoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one

C13H15NO3 — CID 24901100

IUPAC(4S,5R)-4-phenylmethoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one
SMILESO=C1O[C@@H]2CN1CC[C@@H]2OCc1ccccc1
InChIInChI=1S/C13H15NO3/c15-13-14-7-6-11(12(8-14)17-13)16-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12+/m0/s1
InChIKeyCFOTUZHUTFRFQA-NWDGAFQWSA-N
MW233.27 g/mol
LogP1.80
Rot. Bonds3

About (4S,5R)-4-phenylmethoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one

(4S,5R)-4-phenylmethoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one (PubChem CID 24901100) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (4S,5R)-4-phenylmethoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(4S,5R)-4-phenylmethoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one
PubChem CID24901100
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(4S,5R)-4-phenylmethoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one
SMILESO=C1O[C@@H]2CN1CC[C@@H]2OCc1ccccc1
InChIInChI=1S/C13H15NO3/c15-13-14-7-6-11(12(8-14)17-13)16-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12+/m0/s1
InChIKeyCFOTUZHUTFRFQA-NWDGAFQWSA-N
XLogP1.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S,5R)-4-phenylmethoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,6S,7R,8R,8aS)-1,6,7,8-tetrakis(phenylmethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 11124483
3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid
CID 175801457
(1S,2S,4R,5R)-2,4-bis(phenylmethoxy)-8-oxabicyclo[3.2.1]octane
CID 71725331
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid
CID 141023299
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
ethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate
CID 141321691
(3S,5R)-3,4,5-tris(phenylmethoxy)piperidine-1-carbaldehyde
CID 175873716
5-phenylmethoxyoxolan-2-one
CID 67674906
1-benzyl-2-methyl-3-phenylmethoxypyrrolidine
CID 68728414
(1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol
CID 15287282
2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione
CID 68810098

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-phenylmethoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one?
The IUPAC name of (4S,5R)-4-phenylmethoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one (CID 24901100) is (4S,5R)-4-phenylmethoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (4S,5R)-4-phenylmethoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (4S,5R)-4-phenylmethoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one is O=C1O[C@@H]2CN1CC[C@@H]2OCc1ccccc1.
What is the InChIKey of (4S,5R)-4-phenylmethoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one?
The InChIKey is CFOTUZHUTFRFQA-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H15NO3/c15-13-14-7-6-11(12(8-14)17-13)16-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12+/m0/s1.
What are the key properties of (4S,5R)-4-phenylmethoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one?
(4S,5R)-4-phenylmethoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one has a molecular weight of 233.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-phenylmethoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 24901100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).