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

C10H11NO2 — CID 853161

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

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

(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 853161) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID853161
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1NC(=O)O[C@@H]1c1ccccc1
InChIInChI=1S/C10H11NO2/c1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9-/m0/s1
InChIKeyPPIBJOQGAJBQDF-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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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 853161) is (4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one is C[C@@H]1NC(=O)O[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is PPIBJOQGAJBQDF-CBAPKCEASA-N. The full InChI is InChI=1S/C10H11NO2/c1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9-/m0/s1.
What are the key properties of (4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4S,5R)-4-methyl-5-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 (4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 853161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).