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

C17H15NO2 — CID 54091008

IUPAC4-benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
SMILESCC1(Cc2ccccc2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C17H15NO2/c1-17(12-13-8-4-2-5-9-13)16(19)20-15(18-17)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyMTVMGFKTWWCSEL-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.99
Rot. Bonds3

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

4-benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one (PubChem CID 54091008) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
PubChem CID54091008
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
SMILESCC1(Cc2ccccc2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C17H15NO2/c1-17(12-13-8-4-2-5-9-13)16(19)20-15(18-17)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyMTVMGFKTWWCSEL-UHFFFAOYSA-N
XLogP2.99
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one (CID 54091008) is 4-benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one is CC1(Cc2ccccc2)N=C(c2ccccc2)OC1=O.
What is the InChIKey of 4-benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one?
The InChIKey is MTVMGFKTWWCSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-17(12-13-8-4-2-5-9-13)16(19)20-15(18-17)14-10-6-3-7-11-14/h2-11H,12H2,1H3.
What are the key properties of 4-benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one?
4-benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one has a molecular weight of 265.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 54091008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).