(4S,5R)-3-[(1S)-4-oxo-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one

C28H25NO4 — CID 10575062

IUPAC(4S,5R)-3-[(1S)-4-oxo-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESO=C1C=C(COCc2ccccc2)[C@@H](N2C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)C1
InChIInChI=1S/C28H25NO4/c30-24-16-23(19-32-18-20-10-4-1-5-11-20)25(17-24)29-26(21-12-6-2-7-13-21)27(33-28(29)31)22-14-8-3-9-15-22/h1-16,25-27H,17-19H2/t25-,26-,27+/m0/s1
InChIKeyNWQRHBZKSWCUBF-GMQQYTKMSA-N
MW439.51 g/mol
LogP5.41
Rot. Bonds7

About (4S,5R)-3-[(1S)-4-oxo-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one

(4S,5R)-3-[(1S)-4-oxo-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 10575062) has the molecular formula C28H25NO4 and a molecular weight of 439.51 g/mol. Its IUPAC name is (4S,5R)-3-[(1S)-4-oxo-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[(1S)-4-oxo-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID10575062
Molecular FormulaC28H25NO4
Molecular Weight439.51 g/mol
Exact Mass439.18
IUPAC Name(4S,5R)-3-[(1S)-4-oxo-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESO=C1C=C(COCc2ccccc2)[C@@H](N2C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)C1
InChIInChI=1S/C28H25NO4/c30-24-16-23(19-32-18-20-10-4-1-5-11-20)25(17-24)29-26(21-12-6-2-7-13-21)27(33-28(29)31)22-14-8-3-9-15-22/h1-16,25-27H,17-19H2/t25-,26-,27+/m0/s1
InChIKeyNWQRHBZKSWCUBF-GMQQYTKMSA-N
XLogP5.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S,5R)-3-[(1S)-4-oxo-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]-4,5-diphenyl-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

Related Compounds

Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981233
(2R,3S)-(-)-N-Z-6-oxo-2,3-diphenylmorpholine
CID 981238
Benzyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 3902786
benzyl 2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)acetate
CID 44428418
(4R)-1-[(1S)-1-phenylethyl]-4-phenylmethoxypyrrolidin-2-one
CID 134918156
benzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10362761
Phenylmethyl (2R,4S)-5-oxo-2,4-diphenyl-3-oxazolidinecarboxylate
CID 10861658
benzyl (3S,5S,6R)-3-methyl-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 10993081
Tert-butyl (3s,5s,6r)-3-allyl-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 11058313
(4S,5R)-3-((2R,3R)-2,3-Dimethyl-hexanoyl)-4,5-diphenyl-oxazolidin-2-one
CID 25232465
benzyl (2R,4R)-4-benzyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 53773313
(4S)-3-[(2R,3S)-2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 396645

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[(1S)-4-oxo-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[(1S)-4-oxo-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 10575062) is (4S,5R)-3-[(1S)-4-oxo-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[(1S)-4-oxo-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[(1S)-4-oxo-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is O=C1C=C(COCc2ccccc2)[C@@H](N2C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)C1.
What is the InChIKey of (4S,5R)-3-[(1S)-4-oxo-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is NWQRHBZKSWCUBF-GMQQYTKMSA-N. The full InChI is InChI=1S/C28H25NO4/c30-24-16-23(19-32-18-20-10-4-1-5-11-20)25(17-24)29-26(21-12-6-2-7-13-21)27(33-28(29)31)22-14-8-3-9-15-22/h1-16,25-27H,17-19H2/t25-,26-,27+/m0/s1.
What are the key properties of (4S,5R)-3-[(1S)-4-oxo-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
(4S,5R)-3-[(1S)-4-oxo-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 439.51 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[(1S)-4-oxo-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10575062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).