N-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C19H18N2O2 — CID 741138

IUPACN-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C19H18N2O2/c1-12-8-7-9-13(2)17(12)20-19(22)16-14(3)23-21-18(16)15-10-5-4-6-11-15/h4-11H,1-3H3,(H,20,22)
InChIKeyYMDMTRBVNMJJEV-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.52
Rot. Bonds3

About N-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 741138) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID741138
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C19H18N2O2/c1-12-8-7-9-13(2)17(12)20-19(22)16-14(3)23-21-18(16)15-10-5-4-6-11-15/h4-11H,1-3H3,(H,20,22)
InChIKeyYMDMTRBVNMJJEV-UHFFFAOYSA-N
XLogP4.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 741138) is N-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1cccc(C)c1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is YMDMTRBVNMJJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-8-7-9-13(2)17(12)20-19(22)16-14(3)23-21-18(16)15-10-5-4-6-11-15/h4-11H,1-3H3,(H,20,22).
What are the key properties of N-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 741138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).