4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one

C16H13NO2 — CID 20768022

IUPAC4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one
SMILESCc1ccc(-c2coc(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C16H13NO2/c1-12-7-9-13(10-8-12)15-11-19-16(18)17(15)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyDKLMKEJVWRUXRO-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.41
Rot. Bonds2

About 4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one

4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one (PubChem CID 20768022) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one
PubChem CID20768022
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one
SMILESCc1ccc(-c2coc(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C16H13NO2/c1-12-7-9-13(10-8-12)15-11-19-16(18)17(15)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyDKLMKEJVWRUXRO-UHFFFAOYSA-N
XLogP3.41
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
CID 10529712
4-benzyl-3-phenyl-1,3-oxazol-2-one
CID 138858082
N,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
CID 10720596
3-(4-methylphenyl)-1,2,5-triphenylpyrrole
CID 11851226
2-(4-methylphenyl)-1,3,5-triphenylpyrrole
CID 6710391
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
1,3-dimethyl-6-(4-methylphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-2,4-dione
CID 175665080
4-methyl-3,5-diphenyl-1,3-oxazol-2-one
CID 134935741
2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole
CID 166512378
2-(4-fluorophenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303719
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
1,2-bis(4-methylphenyl)-5-[4-[(E)-2-phenylethenyl]phenyl]pyrrole;(E)-but-2-ene
CID 160992457

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one?
The IUPAC name of 4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one (CID 20768022) is 4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one.
What is the SMILES notation for 4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one?
The canonical SMILES for 4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one is Cc1ccc(-c2coc(=O)n2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one?
The InChIKey is DKLMKEJVWRUXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-12-7-9-13(10-8-12)15-11-19-16(18)17(15)14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of 4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one?
4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one has a molecular weight of 251.28 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one is sourced from PubChem (CID 20768022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).