(4S,5R)-3-[(1S,2S)-2-ethoxy-4-oxo-2-(phenylmethoxymethyl)cyclopentyl]-4,5-diphenyl-1,3-oxazolidin-2-one

C30H31NO5 — CID 134839994

IUPAC(4S,5R)-3-[(1S,2S)-2-ethoxy-4-oxo-2-(phenylmethoxymethyl)cyclopentyl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCCO[C@@]1(COCc2ccccc2)CC(=O)C[C@@H]1N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C30H31NO5/c1-2-35-30(21-34-20-22-12-6-3-7-13-22)19-25(32)18-26(30)31-27(23-14-8-4-9-15-23)28(36-29(31)33)24-16-10-5-11-17-24/h3-17,26-28H,2,18-21H2,1H3/t26-,27-,28+,30+/m0/s1
InChIKeyCOHSTHAALVRFDW-XIYUWPQBSA-N
MW485.58 g/mol
LogP5.64
Rot. Bonds9

About (4S,5R)-3-[(1S,2S)-2-ethoxy-4-oxo-2-(phenylmethoxymethyl)cyclopentyl]-4,5-diphenyl-1,3-oxazolidin-2-one

(4S,5R)-3-[(1S,2S)-2-ethoxy-4-oxo-2-(phenylmethoxymethyl)cyclopentyl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 134839994) has the molecular formula C30H31NO5 and a molecular weight of 485.58 g/mol. Its IUPAC name is (4S,5R)-3-[(1S,2S)-2-ethoxy-4-oxo-2-(phenylmethoxymethyl)cyclopentyl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[(1S,2S)-2-ethoxy-4-oxo-2-(phenylmethoxymethyl)cyclopentyl]-4,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID134839994
Molecular FormulaC30H31NO5
Molecular Weight485.58 g/mol
Exact Mass485.22
IUPAC Name(4S,5R)-3-[(1S,2S)-2-ethoxy-4-oxo-2-(phenylmethoxymethyl)cyclopentyl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCCO[C@@]1(COCc2ccccc2)CC(=O)C[C@@H]1N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C30H31NO5/c1-2-35-30(21-34-20-22-12-6-3-7-13-22)19-25(32)18-26(30)31-27(23-14-8-4-9-15-23)28(36-29(31)33)24-16-10-5-11-17-24/h3-17,26-28H,2,18-21H2,1H3/t26-,27-,28+,30+/m0/s1
InChIKeyCOHSTHAALVRFDW-XIYUWPQBSA-N
XLogP5.64
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.58
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[(1S,2S)-2-ethoxy-4-oxo-2-(phenylmethoxymethyl)cyclopentyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[(1S,2S)-2-ethoxy-4-oxo-2-(phenylmethoxymethyl)cyclopentyl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 134839994) is (4S,5R)-3-[(1S,2S)-2-ethoxy-4-oxo-2-(phenylmethoxymethyl)cyclopentyl]-4,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[(1S,2S)-2-ethoxy-4-oxo-2-(phenylmethoxymethyl)cyclopentyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[(1S,2S)-2-ethoxy-4-oxo-2-(phenylmethoxymethyl)cyclopentyl]-4,5-diphenyl-1,3-oxazolidin-2-one is CCO[C@@]1(COCc2ccccc2)CC(=O)C[C@@H]1N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-3-[(1S,2S)-2-ethoxy-4-oxo-2-(phenylmethoxymethyl)cyclopentyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is COHSTHAALVRFDW-XIYUWPQBSA-N. The full InChI is InChI=1S/C30H31NO5/c1-2-35-30(21-34-20-22-12-6-3-7-13-22)19-25(32)18-26(30)31-27(23-14-8-4-9-15-23)28(36-29(31)33)24-16-10-5-11-17-24/h3-17,26-28H,2,18-21H2,1H3/t26-,27-,28+,30+/m0/s1.
What are the key properties of (4S,5R)-3-[(1S,2S)-2-ethoxy-4-oxo-2-(phenylmethoxymethyl)cyclopentyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
(4S,5R)-3-[(1S,2S)-2-ethoxy-4-oxo-2-(phenylmethoxymethyl)cyclopentyl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 485.58 g/mol, XLogP of 5.64, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[(1S,2S)-2-ethoxy-4-oxo-2-(phenylmethoxymethyl)cyclopentyl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134839994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).