(5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one

C10H11NO2 — CID 69282063

IUPAC(5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc([C@H]2CNC(=O)O2)c1
InChIInChI=1S/C10H11NO2/c1-7-3-2-4-8(5-7)9-6-11-10(12)13-9/h2-5,9H,6H2,1H3,(H,11,12)/t9-/m1/s1
InChIKeyLMHZGACSBRCTMO-SECBINFHSA-N
MW177.20 g/mol
LogP1.78
Rot. Bonds1

About (5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one

(5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 69282063) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID69282063
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc([C@H]2CNC(=O)O2)c1
InChIInChI=1S/C10H11NO2/c1-7-3-2-4-8(5-7)9-6-11-10(12)13-9/h2-5,9H,6H2,1H3,(H,11,12)/t9-/m1/s1
InChIKeyLMHZGACSBRCTMO-SECBINFHSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one (CID 69282063) is (5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one is Cc1cccc([C@H]2CNC(=O)O2)c1.
What is the InChIKey of (5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is LMHZGACSBRCTMO-SECBINFHSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7-3-2-4-8(5-7)9-6-11-10(12)13-9/h2-5,9H,6H2,1H3,(H,11,12)/t9-/m1/s1.
What are the key properties of (5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one?
(5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 177.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 69282063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).