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

C29H23NO — CID 162648413

IUPAC2-[2-(3-methylphenyl)phenyl]-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole
SMILESCc1cccc(-c2ccc(-c3coc(-c4ccccc4-c4cccc(C)c4)n3)cc2)c1
InChIInChI=1S/C29H23NO/c1-20-7-5-9-24(17-20)22-13-15-23(16-14-22)28-19-31-29(30-28)27-12-4-3-11-26(27)25-10-6-8-21(2)18-25/h3-19H,1-2H3
InChIKeyJQGDOWJYGVQPCC-UHFFFAOYSA-N
MW401.51 g/mol
LogP7.96
Rot. Bonds4

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

2-[2-(3-methylphenyl)phenyl]-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole (PubChem CID 162648413) has the molecular formula C29H23NO and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)phenyl]-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)phenyl]-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole
PubChem CID162648413
Molecular FormulaC29H23NO
Molecular Weight401.51 g/mol
Exact Mass401.18
IUPAC Name2-[2-(3-methylphenyl)phenyl]-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole
SMILESCc1cccc(-c2ccc(-c3coc(-c4ccccc4-c4cccc(C)c4)n3)cc2)c1
InChIInChI=1S/C29H23NO/c1-20-7-5-9-24(17-20)22-13-15-23(16-14-22)28-19-31-29(30-28)27-12-4-3-11-26(27)25-10-6-8-21(2)18-25/h3-19H,1-2H3
InChIKeyJQGDOWJYGVQPCC-UHFFFAOYSA-N
XLogP7.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)phenyl]-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole?
The IUPAC name of 2-[2-(3-methylphenyl)phenyl]-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole (CID 162648413) is 2-[2-(3-methylphenyl)phenyl]-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(3-methylphenyl)phenyl]-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole?
The canonical SMILES for 2-[2-(3-methylphenyl)phenyl]-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole is Cc1cccc(-c2ccc(-c3coc(-c4ccccc4-c4cccc(C)c4)n3)cc2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)phenyl]-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole?
The InChIKey is JQGDOWJYGVQPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO/c1-20-7-5-9-24(17-20)22-13-15-23(16-14-22)28-19-31-29(30-28)27-12-4-3-11-26(27)25-10-6-8-21(2)18-25/h3-19H,1-2H3.
What are the key properties of 2-[2-(3-methylphenyl)phenyl]-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole?
2-[2-(3-methylphenyl)phenyl]-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole has a molecular weight of 401.51 g/mol, XLogP of 7.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)phenyl]-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 162648413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).