1-(3-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide

C14H12ClN5O2 — CID 16648922

IUPAC1-(3-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
SMILESCc1cc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)no1
InChIInChI=1S/C14H12ClN5O2/c1-8-6-12(18-22-8)16-14(21)13-9(2)20(19-17-13)11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H,16,18,21)
InChIKeyDXZOOYCZEXHDRO-UHFFFAOYSA-N
MW317.74 g/mol
LogP2.78
Rot. Bonds3

About 1-(3-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide

1-(3-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide (PubChem CID 16648922) has the molecular formula C14H12ClN5O2 and a molecular weight of 317.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
PubChem CID16648922
Molecular FormulaC14H12ClN5O2
Molecular Weight317.74 g/mol
Exact Mass317.07
IUPAC Name1-(3-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
SMILESCc1cc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)no1
InChIInChI=1S/C14H12ClN5O2/c1-8-6-12(18-22-8)16-14(21)13-9(2)20(19-17-13)11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H,16,18,21)
InChIKeyDXZOOYCZEXHDRO-UHFFFAOYSA-N
XLogP2.78
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide (CID 16648922) is 1-(3-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide is Cc1cc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)no1.
What is the InChIKey of 1-(3-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide?
The InChIKey is DXZOOYCZEXHDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O2/c1-8-6-12(18-22-8)16-14(21)13-9(2)20(19-17-13)11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H,16,18,21).
What are the key properties of 1-(3-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide?
1-(3-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide has a molecular weight of 317.74 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide is sourced from PubChem (CID 16648922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).