5-methyl-N-(2-methylphenyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide

C18H18N2O2 — CID 53017003

IUPAC5-methyl-N-(2-methylphenyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1NC(=O)C1(C)CC(c2ccccc2)=NO1
InChIInChI=1S/C18H18N2O2/c1-13-8-6-7-11-15(13)19-17(21)18(2)12-16(20-22-18)14-9-4-3-5-10-14/h3-11H,12H2,1-2H3,(H,19,21)
InChIKeyVBAVOTHCAITXCK-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.52
Rot. Bonds3

About 5-methyl-N-(2-methylphenyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide

5-methyl-N-(2-methylphenyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 53017003) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-methyl-N-(2-methylphenyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylphenyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
PubChem CID53017003
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-methyl-N-(2-methylphenyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1NC(=O)C1(C)CC(c2ccccc2)=NO1
InChIInChI=1S/C18H18N2O2/c1-13-8-6-7-11-15(13)19-17(21)18(2)12-16(20-22-18)14-9-4-3-5-10-14/h3-11H,12H2,1-2H3,(H,19,21)
InChIKeyVBAVOTHCAITXCK-UHFFFAOYSA-N
XLogP3.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-N-(2-methylphenyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylphenyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylphenyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide (CID 53017003) is 5-methyl-N-(2-methylphenyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylphenyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylphenyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide is Cc1ccccc1NC(=O)C1(C)CC(c2ccccc2)=NO1.
What is the InChIKey of 5-methyl-N-(2-methylphenyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is VBAVOTHCAITXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-8-6-7-11-15(13)19-17(21)18(2)12-16(20-22-18)14-9-4-3-5-10-14/h3-11H,12H2,1-2H3,(H,19,21).
What are the key properties of 5-methyl-N-(2-methylphenyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide?
5-methyl-N-(2-methylphenyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylphenyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 53017003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).