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

C16H13NO2 — CID 2756650

IUPAC4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1Cc1ccccc1
InChIInChI=1S/C16H13NO2/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyRWJSXVNLBHUVDP-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.60
Rot. Bonds3

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

4-benzyl-2-phenyl-4H-1,3-oxazol-5-one (PubChem CID 2756650) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-benzyl-2-phenyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
PubChem CID2756650
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1Cc1ccccc1
InChIInChI=1S/C16H13NO2/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyRWJSXVNLBHUVDP-UHFFFAOYSA-N
XLogP2.60
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one
CID 135070859
2-phenyl-4-prop-2-enyl-4H-1,3-oxazol-5-one
CID 11127309
4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane
CID 123819241
5-benzyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one
CID 13293995
2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one
CID 86111368
4-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one
CID 164800110
4-(2-methylsulfanylethyl)-2-[4-[4-(2-methylsulfanylethyl)-5-oxo-4H-1,3-oxazol-2-yl]phenyl]-4H-1,3-oxazol-5-one
CID 14529607
4-acetyl-2-phenyl-4H-1,3-oxazol-5-one
CID 13223325
2-[(4S,5S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]acetic acid
CID 10017392
2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one
CID 7068225
4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one
CID 45123203
5-benzyl-3-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 15149735

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-phenyl-4H-1,3-oxazol-5-one?
The IUPAC name of 4-benzyl-2-phenyl-4H-1,3-oxazol-5-one (CID 2756650) is 4-benzyl-2-phenyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-benzyl-2-phenyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-benzyl-2-phenyl-4H-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=NC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-phenyl-4H-1,3-oxazol-5-one?
The InChIKey is RWJSXVNLBHUVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h1-10,14H,11H2.
What are the key properties of 4-benzyl-2-phenyl-4H-1,3-oxazol-5-one?
4-benzyl-2-phenyl-4H-1,3-oxazol-5-one has a molecular weight of 251.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-phenyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 2756650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).