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

C19H19N3O2 — CID 118753305

IUPAC3-(2,6-dimethylphenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1cccc(C)c1-c1noc(C)c1C(=O)NCc1ccccn1
InChIInChI=1S/C19H19N3O2/c1-12-7-6-8-13(2)16(12)18-17(14(3)24-22-18)19(23)21-11-15-9-4-5-10-20-15/h4-10H,11H2,1-3H3,(H,21,23)
InChIKeyXOFBZLNLMUJQIM-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.59
Rot. Bonds4

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

3-(2,6-dimethylphenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 118753305) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID118753305
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-(2,6-dimethylphenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1cccc(C)c1-c1noc(C)c1C(=O)NCc1ccccn1
InChIInChI=1S/C19H19N3O2/c1-12-7-6-8-13(2)16(12)18-17(14(3)24-22-18)19(23)21-11-15-9-4-5-10-20-15/h4-10H,11H2,1-3H3,(H,21,23)
InChIKeyXOFBZLNLMUJQIM-UHFFFAOYSA-N
XLogP3.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dimethylphenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide (CID 118753305) is 3-(2,6-dimethylphenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dimethylphenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1cccc(C)c1-c1noc(C)c1C(=O)NCc1ccccn1.
What is the InChIKey of 3-(2,6-dimethylphenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is XOFBZLNLMUJQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-7-6-8-13(2)16(12)18-17(14(3)24-22-18)19(23)21-11-15-9-4-5-10-20-15/h4-10H,11H2,1-3H3,(H,21,23).
What are the key properties of 3-(2,6-dimethylphenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
3-(2,6-dimethylphenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 118753305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).