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

C10H11NO2 — CID 64985229

IUPAC5-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc(C2CNC(=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)
InChIKeyLMHZGACSBRCTMO-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.78
Rot. Bonds1

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

5-(3-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 64985229) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-(3-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID64985229
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc(C2CNC(=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)
InChIKeyLMHZGACSBRCTMO-UHFFFAOYSA-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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Related Compounds

5-((Benzyloxy)methyl)oxazolidin-2-one
CID 2771944
5-Phenyl-1,3-oxazolidin-2-one
CID 202193
(5S)-5-phenyl-1,3-oxazolidin-2-one
CID 10855806
Fludorex
CID 27139
(4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
CID 69081973
3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
Ephedroxane
CID 161171
Profexalone
CID 65786
(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane
CID 9861019
4-Methyl-5-phenyl-2-oxazolidinone, (4S,5R)-
CID 853161
(4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
CID 9859564
(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone
CID 10868374

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3-methylphenyl)-1,3-oxazolidin-2-one (CID 64985229) is 5-(3-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3-methylphenyl)-1,3-oxazolidin-2-one is Cc1cccc(C2CNC(=O)O2)c1.
What is the InChIKey of 5-(3-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is LMHZGACSBRCTMO-UHFFFAOYSA-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).
What are the key properties of 5-(3-methylphenyl)-1,3-oxazolidin-2-one?
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 5-(3-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 64985229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).