(4S)-3-[(1S,4R)-3-oxo-5-oxaspiro[3.4]octan-1-yl]-4-phenyl-1,3-oxazolidin-2-one

C16H17NO4 — CID 10637012

IUPAC(4S)-3-[(1S,4R)-3-oxo-5-oxaspiro[3.4]octan-1-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccccc2)N1[C@H]1CC(=O)[C@@]12CCCO2
InChIInChI=1S/C16H17NO4/c18-14-9-13(16(14)7-4-8-21-16)17-12(10-20-15(17)19)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2/t12-,13+,16-/m1/s1
InChIKeySNTMGPHPFVIGFN-DVOMOZLQSA-N
MW287.31 g/mol
LogP2.07
Rot. Bonds2

About (4S)-3-[(1S,4R)-3-oxo-5-oxaspiro[3.4]octan-1-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(1S,4R)-3-oxo-5-oxaspiro[3.4]octan-1-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10637012) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is (4S)-3-[(1S,4R)-3-oxo-5-oxaspiro[3.4]octan-1-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(1S,4R)-3-oxo-5-oxaspiro[3.4]octan-1-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID10637012
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name(4S)-3-[(1S,4R)-3-oxo-5-oxaspiro[3.4]octan-1-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccccc2)N1[C@H]1CC(=O)[C@@]12CCCO2
InChIInChI=1S/C16H17NO4/c18-14-9-13(16(14)7-4-8-21-16)17-12(10-20-15(17)19)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2/t12-,13+,16-/m1/s1
InChIKeySNTMGPHPFVIGFN-DVOMOZLQSA-N
XLogP2.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-3-[(1S,4R)-3-oxo-5-oxaspiro[3.4]octan-1-yl]-4-phenyl-1,3-oxazolidin-2-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)-3-[(1S,4R)-3-oxo-5-oxaspiro[3.4]octan-1-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(1S,4R)-3-oxo-5-oxaspiro[3.4]octan-1-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 10637012) is (4S)-3-[(1S,4R)-3-oxo-5-oxaspiro[3.4]octan-1-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(1S,4R)-3-oxo-5-oxaspiro[3.4]octan-1-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(1S,4R)-3-oxo-5-oxaspiro[3.4]octan-1-yl]-4-phenyl-1,3-oxazolidin-2-one is O=C1OC[C@H](c2ccccc2)N1[C@H]1CC(=O)[C@@]12CCCO2.
What is the InChIKey of (4S)-3-[(1S,4R)-3-oxo-5-oxaspiro[3.4]octan-1-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is SNTMGPHPFVIGFN-DVOMOZLQSA-N. The full InChI is InChI=1S/C16H17NO4/c18-14-9-13(16(14)7-4-8-21-16)17-12(10-20-15(17)19)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2/t12-,13+,16-/m1/s1.
What are the key properties of (4S)-3-[(1S,4R)-3-oxo-5-oxaspiro[3.4]octan-1-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(1S,4R)-3-oxo-5-oxaspiro[3.4]octan-1-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 287.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(1S,4R)-3-oxo-5-oxaspiro[3.4]octan-1-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10637012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).