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

C10H11NO2 — CID 57073606

IUPAC(4R,5S)-5-methyl-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1OC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C10H11NO2/c1-7-9(11-10(12)13-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9-/m0/s1
InChIKeyJOKFIJCOSNKJAI-CBAPKCEASA-N
MW177.20 g/mol
LogP1.86
Rot. Bonds1

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

(4R,5S)-5-methyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 57073606) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (4R,5S)-5-methyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-5-methyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID57073606
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(4R,5S)-5-methyl-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1OC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C10H11NO2/c1-7-9(11-10(12)13-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9-/m0/s1
InChIKeyJOKFIJCOSNKJAI-CBAPKCEASA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-4-Benzyl-2-oxazolidinone
CID 2734969
(4R)-4-phenyl-1,3-oxazolidin-2-one
CID 730425
5-Phenyl-1,3-oxazolidin-2-one
CID 202193
Carbamic acid, N-((1R)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
CID 7016461
tert-Butyl {(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl}carbamate
CID 9813904
(S)-4-Benzyl-2-oxazolidinone
CID 736225
(5S)-5-phenyl-1,3-oxazolidin-2-one
CID 10855806
2-Oxazolidinone, 4-phenyl-, (4S)-
CID 730424
4-Methyl-5-phenyl-2-oxazolidinone, (4S,5R)-
CID 853161
(S)-(+)-5,5-Dimethyl-4-phenyl-2-oxazolidinone
CID 2733820
(R)-(-)-5,5-Dimethyl-4-phenyl-2-oxazolidinone
CID 6950851
(4R)-4-(Diphenylmethyl)-1,3-oxazolidin-2-one
CID 9837924

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-methyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-5-methyl-4-phenyl-1,3-oxazolidin-2-one (CID 57073606) is (4R,5S)-5-methyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-5-methyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-5-methyl-4-phenyl-1,3-oxazolidin-2-one is C[C@@H]1OC(=O)N[C@@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-5-methyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is JOKFIJCOSNKJAI-CBAPKCEASA-N. The full InChI is InChI=1S/C10H11NO2/c1-7-9(11-10(12)13-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9-/m0/s1.
What are the key properties of (4R,5S)-5-methyl-4-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-5-methyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 177.20 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-methyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 57073606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).