3-benzyl-5-methyl-2-phenyl-1,3-oxazolidin-4-one

C17H17NO2 — CID 11021865

IUPAC3-benzyl-5-methyl-2-phenyl-1,3-oxazolidin-4-one
SMILESCC1OC(c2ccccc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H17NO2/c1-13-16(19)18(12-14-8-4-2-5-9-14)17(20-13)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3
InChIKeyDAOPQIMANOFZGJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.13
Rot. Bonds3

About 3-benzyl-5-methyl-2-phenyl-1,3-oxazolidin-4-one

3-benzyl-5-methyl-2-phenyl-1,3-oxazolidin-4-one (PubChem CID 11021865) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-benzyl-5-methyl-2-phenyl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-5-methyl-2-phenyl-1,3-oxazolidin-4-one
PubChem CID11021865
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-benzyl-5-methyl-2-phenyl-1,3-oxazolidin-4-one
SMILESCC1OC(c2ccccc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H17NO2/c1-13-16(19)18(12-14-8-4-2-5-9-14)17(20-13)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3
InChIKeyDAOPQIMANOFZGJ-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

COX inhibitor, 5a
CID 12444099
Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 3142634
N-Benzyl-3-benzyloxy-2-pyridone
CID 90335
3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
CID 434347
1-[(2S)-2-(benzyloxy)propanoyl]pyrrolidine
CID 10879038
4-Benzyl-6-phenyl-1,4-oxazin-3-one
CID 24980405
1-[2-Benzyl-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanone
CID 70694193
3-Benzyl-5-methyl-2-(4-methylsulfonylphenyl)-1,3-oxazolidin-4-one
CID 76326472
alpha-(Acetyloxy)-N-(phenylmethyl)benzeneacetamide
CID 5158023
2,5-Diphenyl-3,4-dimethyloxazolidine
CID 73585
(S)-(+)-4-benzyl-3-benzyloxyacetyl-2-oxazolidinone
CID 11001904

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-methyl-2-phenyl-1,3-oxazolidin-4-one?
The IUPAC name of 3-benzyl-5-methyl-2-phenyl-1,3-oxazolidin-4-one (CID 11021865) is 3-benzyl-5-methyl-2-phenyl-1,3-oxazolidin-4-one.
What is the SMILES notation for 3-benzyl-5-methyl-2-phenyl-1,3-oxazolidin-4-one?
The canonical SMILES for 3-benzyl-5-methyl-2-phenyl-1,3-oxazolidin-4-one is CC1OC(c2ccccc2)N(Cc2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-5-methyl-2-phenyl-1,3-oxazolidin-4-one?
The InChIKey is DAOPQIMANOFZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13-16(19)18(12-14-8-4-2-5-9-14)17(20-13)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3.
What are the key properties of 3-benzyl-5-methyl-2-phenyl-1,3-oxazolidin-4-one?
3-benzyl-5-methyl-2-phenyl-1,3-oxazolidin-4-one has a molecular weight of 267.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-methyl-2-phenyl-1,3-oxazolidin-4-one is sourced from PubChem (CID 11021865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).