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

C12H12N2O2 — CID 6619782

IUPAC3-methyl-N-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)no2)cc1
InChIInChI=1S/C12H12N2O2/c1-8-3-5-10(6-4-8)13-12(15)11-7-9(2)14-16-11/h3-7H,1-2H3,(H,13,15)
InChIKeyOOKBVWYULPYEAN-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.54
Rot. Bonds2

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

3-methyl-N-(4-methylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 6619782) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID6619782
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-methyl-N-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)no2)cc1
InChIInChI=1S/C12H12N2O2/c1-8-3-5-10(6-4-8)13-12(15)11-7-9(2)14-16-11/h3-7H,1-2H3,(H,13,15)
InChIKeyOOKBVWYULPYEAN-UHFFFAOYSA-N
XLogP2.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(4-methylphenyl)-1,2-oxazole-5-carboxamide (CID 6619782) is 3-methyl-N-(4-methylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)-1,2-oxazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(C)no2)cc1.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is OOKBVWYULPYEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-3-5-10(6-4-8)13-12(15)11-7-9(2)14-16-11/h3-7H,1-2H3,(H,13,15).
What are the key properties of 3-methyl-N-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
3-methyl-N-(4-methylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 6619782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).