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

C17H15NO — CID 162649510

IUPAC2-methyl-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole
SMILESCc1cccc(-c2ccc(-c3coc(C)n3)cc2)c1
InChIInChI=1S/C17H15NO/c1-12-4-3-5-16(10-12)14-6-8-15(9-7-14)17-11-19-13(2)18-17/h3-11H,1-2H3
InChIKeyZNEOGDARPLRNJL-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.63
Rot. Bonds2

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

2-methyl-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole (PubChem CID 162649510) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methyl-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole
PubChem CID162649510
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name2-methyl-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole
SMILESCc1cccc(-c2ccc(-c3coc(C)n3)cc2)c1
InChIInChI=1S/C17H15NO/c1-12-4-3-5-16(10-12)14-6-8-15(9-7-14)17-11-19-13(2)18-17/h3-11H,1-2H3
InChIKeyZNEOGDARPLRNJL-UHFFFAOYSA-N
XLogP4.63
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole?
The IUPAC name of 2-methyl-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole (CID 162649510) is 2-methyl-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole is Cc1cccc(-c2ccc(-c3coc(C)n3)cc2)c1.
What is the InChIKey of 2-methyl-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole?
The InChIKey is ZNEOGDARPLRNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-12-4-3-5-16(10-12)14-6-8-15(9-7-14)17-11-19-13(2)18-17/h3-11H,1-2H3.
What are the key properties of 2-methyl-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole?
2-methyl-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole has a molecular weight of 249.31 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 162649510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).