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

C10H10ClNO3 — CID 101245138

IUPAC(4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](CO)[C@H](c2ccc(Cl)cc2)O1
InChIInChI=1S/C10H10ClNO3/c11-7-3-1-6(2-4-7)9-8(5-13)12-10(14)15-9/h1-4,8-9,13H,5H2,(H,12,14)/t8-,9-/m0/s1
InChIKeyVESKLSGATYUYKN-IUCAKERBSA-N
MW227.65 g/mol
LogP1.48
Rot. Bonds2

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

(4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 101245138) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is (4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID101245138
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name(4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](CO)[C@H](c2ccc(Cl)cc2)O1
InChIInChI=1S/C10H10ClNO3/c11-7-3-1-6(2-4-7)9-8(5-13)12-10(14)15-9/h1-4,8-9,13H,5H2,(H,12,14)/t8-,9-/m0/s1
InChIKeyVESKLSGATYUYKN-IUCAKERBSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-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

(4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 101245141
(4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 102031796
(4R,5R)-5-cyclohexa-1,5-dien-3-yn-1-yl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 122484692
5-(2-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115062399
4-(hydroxymethyl)-5-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115062397
5-(4-chlorophenyl)-4-[(3-ethoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 22261945
2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 70223580
4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one
CID 14553806
methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate
CID 11791154
(4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129312530
5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115062429
(4S,5S)-5-(3-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 134527726

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 101245138) is (4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1N[C@@H](CO)[C@H](c2ccc(Cl)cc2)O1.
What is the InChIKey of (4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is VESKLSGATYUYKN-IUCAKERBSA-N. The full InChI is InChI=1S/C10H10ClNO3/c11-7-3-1-6(2-4-7)9-8(5-13)12-10(14)15-9/h1-4,8-9,13H,5H2,(H,12,14)/t8-,9-/m0/s1.
What are the key properties of (4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
(4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 227.65 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 101245138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).