4-[4-(2-methylphenyl)phenyl]-2-phenyl-1,3-oxazole

C22H17NO — CID 162670328

IUPAC4-[4-(2-methylphenyl)phenyl]-2-phenyl-1,3-oxazole
SMILESCc1ccccc1-c1ccc(-c2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H17NO/c1-16-7-5-6-10-20(16)17-11-13-18(14-12-17)21-15-24-22(23-21)19-8-3-2-4-9-19/h2-15H,1H3
InChIKeyVQANZJJWNOKYSQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.98
Rot. Bonds3

About 4-[4-(2-methylphenyl)phenyl]-2-phenyl-1,3-oxazole

4-[4-(2-methylphenyl)phenyl]-2-phenyl-1,3-oxazole (PubChem CID 162670328) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-[4-(2-methylphenyl)phenyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[4-(2-methylphenyl)phenyl]-2-phenyl-1,3-oxazole
PubChem CID162670328
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name4-[4-(2-methylphenyl)phenyl]-2-phenyl-1,3-oxazole
SMILESCc1ccccc1-c1ccc(-c2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H17NO/c1-16-7-5-6-10-20(16)17-11-13-18(14-12-17)21-15-24-22(23-21)19-8-3-2-4-9-19/h2-15H,1H3
InChIKeyVQANZJJWNOKYSQ-UHFFFAOYSA-N
XLogP5.98
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylphenyl)phenyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[4-(2-methylphenyl)phenyl]-2-phenyl-1,3-oxazole (CID 162670328) is 4-[4-(2-methylphenyl)phenyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[4-(2-methylphenyl)phenyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[4-(2-methylphenyl)phenyl]-2-phenyl-1,3-oxazole is Cc1ccccc1-c1ccc(-c2coc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-(2-methylphenyl)phenyl]-2-phenyl-1,3-oxazole?
The InChIKey is VQANZJJWNOKYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-16-7-5-6-10-20(16)17-11-13-18(14-12-17)21-15-24-22(23-21)19-8-3-2-4-9-19/h2-15H,1H3.
What are the key properties of 4-[4-(2-methylphenyl)phenyl]-2-phenyl-1,3-oxazole?
4-[4-(2-methylphenyl)phenyl]-2-phenyl-1,3-oxazole has a molecular weight of 311.38 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylphenyl)phenyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 162670328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).