(3S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-5-one

C16H14ClNO2 — CID 134851900

IUPAC(3S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-5-one
SMILESO=C1C[C@@H](c2ccc(Cl)cc2)N(Cc2ccccc2)O1
InChIInChI=1S/C16H14ClNO2/c17-14-8-6-13(7-9-14)15-10-16(19)20-18(15)11-12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m0/s1
InChIKeyKORPGYULSGKFEE-HNNXBMFYSA-N
MW287.75 g/mol
LogP3.75
Rot. Bonds3

About (3S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-5-one

(3S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-5-one (PubChem CID 134851900) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (3S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name(3S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-5-one
PubChem CID134851900
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(3S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-5-one
SMILESO=C1C[C@@H](c2ccc(Cl)cc2)N(Cc2ccccc2)O1
InChIInChI=1S/C16H14ClNO2/c17-14-8-6-13(7-9-14)15-10-16(19)20-18(15)11-12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m0/s1
InChIKeyKORPGYULSGKFEE-HNNXBMFYSA-N
XLogP3.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3-(3-chlorophenyl)-3-pyrrolidin-1-yl-propanoate
CID 16078843
(3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one
CID 11402901
Methyl beta-(p-chlorophenyl)-1-piperidinepropionate hydrochloride
CID 24190360
(3S,4S)-1-Benzyl-4-(4-chloro-3-fluoro-phenyl)-pyrrolidine-3-carboxylic acid
CID 46832839
(3R,4R)-1-Benzyl-4-(4-chloro-3-fluoro-phenyl)-pyrrolidine-3-carboxylic acid
CID 46833134
(3S,4R)-1-Benzyl-4-(4-chloro-3-fluoro-phenyl)-pyrrolidine-3-carboxylic acid methyl ester
CID 58303025
(3S,4R)-1-Benzyl-4-(4-chloro-3-fluoro-phenyl)-pyrrolidine-3-carboxylic acid
CID 58303139
Methyl 1-benzyl-4-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxylate
CID 67202567
1-Benzyl-4-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 67202827
methyl (4R)-1-benzyl-4-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxylate
CID 67375698
(3R,4S)-1-benzyl-4-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 118128511
methyl (3S,4R)-1-benzyl-4-(4-chloro-2-fluorophenyl)pyrrolidine-3-carboxylate
CID 138628330

Frequently Asked Questions

What is the IUPAC name of (3S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-5-one?
The IUPAC name of (3S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-5-one (CID 134851900) is (3S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-5-one.
What is the SMILES notation for (3S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-5-one?
The canonical SMILES for (3S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-5-one is O=C1C[C@@H](c2ccc(Cl)cc2)N(Cc2ccccc2)O1.
What is the InChIKey of (3S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-5-one?
The InChIKey is KORPGYULSGKFEE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-14-8-6-13(7-9-14)15-10-16(19)20-18(15)11-12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m0/s1.
What are the key properties of (3S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-5-one?
(3S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-5-one has a molecular weight of 287.75 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-5-one is sourced from PubChem (CID 134851900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).