(4R)-4-[(S)-chloro(phenyl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one

C17H16ClNO3 — CID 132544961

IUPAC(4R)-4-[(S)-chloro(phenyl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2C(=O)OC[C@@H]2[C@@H](Cl)c2ccccc2)cc1
InChIInChI=1S/C17H16ClNO3/c1-21-14-9-7-13(8-10-14)19-15(11-22-17(19)20)16(18)12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3/t15-,16+/m1/s1
InChIKeyKUJJZGNDLPCVEU-CVEARBPZSA-N
MW317.77 g/mol
LogP4.00
Rot. Bonds4

About (4R)-4-[(S)-chloro(phenyl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one

(4R)-4-[(S)-chloro(phenyl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 132544961) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is (4R)-4-[(S)-chloro(phenyl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(S)-chloro(phenyl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID132544961
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name(4R)-4-[(S)-chloro(phenyl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2C(=O)OC[C@@H]2[C@@H](Cl)c2ccccc2)cc1
InChIInChI=1S/C17H16ClNO3/c1-21-14-9-7-13(8-10-14)19-15(11-22-17(19)20)16(18)12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3/t15-,16+/m1/s1
InChIKeyKUJJZGNDLPCVEU-CVEARBPZSA-N
XLogP4.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(S)-chloro(phenyl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(S)-chloro(phenyl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 132544961) is (4R)-4-[(S)-chloro(phenyl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(S)-chloro(phenyl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(S)-chloro(phenyl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is COc1ccc(N2C(=O)OC[C@@H]2[C@@H](Cl)c2ccccc2)cc1.
What is the InChIKey of (4R)-4-[(S)-chloro(phenyl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is KUJJZGNDLPCVEU-CVEARBPZSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-21-14-9-7-13(8-10-14)19-15(11-22-17(19)20)16(18)12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3/t15-,16+/m1/s1.
What are the key properties of (4R)-4-[(S)-chloro(phenyl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
(4R)-4-[(S)-chloro(phenyl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 317.77 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(S)-chloro(phenyl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 132544961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).