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

C12H13NO3 — CID 24901099

IUPAC(4S,5R)-4-phenoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one
SMILESO=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
InChIInChI=1S/C12H13NO3/c14-12-13-7-6-10(11(8-13)16-12)15-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
InChIKeyGCWIICJLIHIUNY-WDEREUQCSA-N
MW219.24 g/mol
LogP1.66
Rot. Bonds2

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

(4S,5R)-4-phenoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one (PubChem CID 24901099) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is (4S,5R)-4-phenoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(4S,5R)-4-phenoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one
PubChem CID24901099
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name(4S,5R)-4-phenoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one
SMILESO=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
InChIInChI=1S/C12H13NO3/c14-12-13-7-6-10(11(8-13)16-12)15-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
InChIKeyGCWIICJLIHIUNY-WDEREUQCSA-N
XLogP1.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S,5R)-4-phenoxy-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

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-phenoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one?
The IUPAC name of (4S,5R)-4-phenoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one (CID 24901099) is (4S,5R)-4-phenoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (4S,5R)-4-phenoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (4S,5R)-4-phenoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one is O=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1.
What is the InChIKey of (4S,5R)-4-phenoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one?
The InChIKey is GCWIICJLIHIUNY-WDEREUQCSA-N. The full InChI is InChI=1S/C12H13NO3/c14-12-13-7-6-10(11(8-13)16-12)15-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1.
What are the key properties of (4S,5R)-4-phenoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one?
(4S,5R)-4-phenoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one has a molecular weight of 219.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-phenoxy-6-oxa-1-azabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 24901099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).