3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide

C15H15N5O2 — CID 131928767

IUPAC3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3c(C)noc3C)c2)n[nH]1
InChIInChI=1S/C15H15N5O2/c1-8-13(9(2)22-20-8)15(21)17-12-6-4-5-11(7-12)14-16-10(3)18-19-14/h4-7H,1-3H3,(H,17,21)(H,16,18,19)
InChIKeyWCFKJEYHXNZMHV-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.64
Rot. Bonds3

About 3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 131928767) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID131928767
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3c(C)noc3C)c2)n[nH]1
InChIInChI=1S/C15H15N5O2/c1-8-13(9(2)22-20-8)15(21)17-12-6-4-5-11(7-12)14-16-10(3)18-19-14/h4-7H,1-3H3,(H,17,21)(H,16,18,19)
InChIKeyWCFKJEYHXNZMHV-UHFFFAOYSA-N
XLogP2.64
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136578426
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 64525875
5-acetyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide
CID 131930308
4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 131927235
4-bromo-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 60933061
3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 87011024
2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide
CID 52668615
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643
3-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
CID 131913057
2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 168520871

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide (CID 131928767) is 3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide is Cc1nc(-c2cccc(NC(=O)c3c(C)noc3C)c2)n[nH]1.
What is the InChIKey of 3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is WCFKJEYHXNZMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-8-13(9(2)22-20-8)15(21)17-12-6-4-5-11(7-12)14-16-10(3)18-19-14/h4-7H,1-3H3,(H,17,21)(H,16,18,19).
What are the key properties of 3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 131928767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).