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

C20H18N6O3 — CID 55765879

IUPAC1-(3-methoxyphenyl)-5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]triazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)Nc3ccccc3-c3noc(C)n3)c2C)c1
InChIInChI=1S/C20H18N6O3/c1-12-18(23-25-26(12)14-7-6-8-15(11-14)28-3)20(27)22-17-10-5-4-9-16(17)19-21-13(2)29-24-19/h4-11H,1-3H3,(H,22,27)
InChIKeyRCTIWXVAAIREAD-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.20
Rot. Bonds5

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

1-(3-methoxyphenyl)-5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]triazole-4-carboxamide (PubChem CID 55765879) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]triazole-4-carboxamide
PubChem CID55765879
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name1-(3-methoxyphenyl)-5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]triazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)Nc3ccccc3-c3noc(C)n3)c2C)c1
InChIInChI=1S/C20H18N6O3/c1-12-18(23-25-26(12)14-7-6-8-15(11-14)28-3)20(27)22-17-10-5-4-9-16(17)19-21-13(2)29-24-19/h4-11H,1-3H3,(H,22,27)
InChIKeyRCTIWXVAAIREAD-UHFFFAOYSA-N
XLogP3.20
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 55666296
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
N-[2-(4-bromopyrazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55764620
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55700588
ethyl 4-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16649100
N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55678173
1-(4-methoxyphenyl)-5-methyl-N-[2-(3-methylphenoxy)phenyl]triazole-4-carboxamide
CID 112821996
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55807505
N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55933626
N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide
CID 55648326
1-(3-methoxyphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16648432

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]triazole-4-carboxamide (CID 55765879) is 1-(3-methoxyphenyl)-5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]triazole-4-carboxamide is COc1cccc(-n2nnc(C(=O)Nc3ccccc3-c3noc(C)n3)c2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]triazole-4-carboxamide?
The InChIKey is RCTIWXVAAIREAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-12-18(23-25-26(12)14-7-6-8-15(11-14)28-3)20(27)22-17-10-5-4-9-16(17)19-21-13(2)29-24-19/h4-11H,1-3H3,(H,22,27).
What are the key properties of 1-(3-methoxyphenyl)-5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]triazole-4-carboxamide?
1-(3-methoxyphenyl)-5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]triazole-4-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 55765879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).