N-(3-methoxyphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide

C14H14N6O3 — CID 136537309

IUPACN-(3-methoxyphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cn(Cc3noc(C)n3)nn2)c1
InChIInChI=1S/C14H14N6O3/c1-9-15-13(18-23-9)8-20-7-12(17-19-20)14(21)16-10-4-3-5-11(6-10)22-2/h3-7H,8H2,1-2H3,(H,16,21)
InChIKeyPRSBIALVYGDAKN-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.28
Rot. Bonds5

About N-(3-methoxyphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide

N-(3-methoxyphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide (PubChem CID 136537309) has the molecular formula C14H14N6O3 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide
PubChem CID136537309
Molecular FormulaC14H14N6O3
Molecular Weight314.31 g/mol
Exact Mass314.11
IUPAC NameN-(3-methoxyphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cn(Cc3noc(C)n3)nn2)c1
InChIInChI=1S/C14H14N6O3/c1-9-15-13(18-23-9)8-20-7-12(17-19-20)14(21)16-10-4-3-5-11(6-10)22-2/h3-7H,8H2,1-2H3,(H,16,21)
InChIKeyPRSBIALVYGDAKN-UHFFFAOYSA-N
XLogP1.28
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593
N-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950959
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
N-(4-methoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46688985
6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850479
1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 19474230
1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 18152035
N-[2-(3,5-dimethoxyanilino)-3-pyridinyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
CID 155814751
2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850554
6-(4-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850511
N-(3-methoxyphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109199818
N-(3-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
CID 53138219

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide (CID 136537309) is N-(3-methoxyphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide is COc1cccc(NC(=O)c2cn(Cc3noc(C)n3)nn2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide?
The InChIKey is PRSBIALVYGDAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3/c1-9-15-13(18-23-9)8-20-7-12(17-19-20)14(21)16-10-4-3-5-11(6-10)22-2/h3-7H,8H2,1-2H3,(H,16,21).
What are the key properties of N-(3-methoxyphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide?
N-(3-methoxyphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide has a molecular weight of 314.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 136537309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).