(4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one

C10H10ClNO2 — CID 102031796

IUPAC(4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](CCl)[C@@H](c2ccccc2)O1
InChIInChI=1S/C10H10ClNO2/c11-6-8-9(14-10(13)12-8)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,13)/t8-,9-/m1/s1
InChIKeyCIYUMVHSZXUDAU-RKDXNWHRSA-N
MW211.65 g/mol
LogP2.07
Rot. Bonds2

About (4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one

(4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 102031796) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is (4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one
PubChem CID102031796
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name(4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](CCl)[C@@H](c2ccccc2)O1
InChIInChI=1S/C10H10ClNO2/c11-6-8-9(14-10(13)12-8)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,13)/t8-,9-/m1/s1
InChIKeyCIYUMVHSZXUDAU-RKDXNWHRSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 101245141
4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one
CID 14553806
(4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 101245138
methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate
CID 11791154
4-(difluoromethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 84723470
(4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70829759
2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 70223580
2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid
CID 57373165
(4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129312530
(4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one
CID 15012939
(4R,5R)-5-cyclohexa-1,5-dien-3-yn-1-yl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 122484692
methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 121224065

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one (CID 102031796) is (4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one is O=C1N[C@H](CCl)[C@@H](c2ccccc2)O1.
What is the InChIKey of (4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is CIYUMVHSZXUDAU-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-6-8-9(14-10(13)12-8)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,13)/t8-,9-/m1/s1.
What are the key properties of (4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one?
(4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 211.65 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102031796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).