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

C18H22N6O3 — CID 136549710

IUPAC1-[(4-methoxyphenyl)methyl]-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]triazole-4-carboxamide
SMILESCOc1ccc(Cn2nnc(C(=O)NC(C)(C)c3nc(C)no3)c2C)cc1
InChIInChI=1S/C18H22N6O3/c1-11-15(16(25)20-18(3,4)17-19-12(2)22-27-17)21-23-24(11)10-13-6-8-14(26-5)9-7-13/h6-9H,10H2,1-5H3,(H,20,25)
InChIKeyNZSSUXGEJPSVIV-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.00
Rot. Bonds6

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

1-[(4-methoxyphenyl)methyl]-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]triazole-4-carboxamide (PubChem CID 136549710) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]triazole-4-carboxamide
PubChem CID136549710
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name1-[(4-methoxyphenyl)methyl]-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]triazole-4-carboxamide
SMILESCOc1ccc(Cn2nnc(C(=O)NC(C)(C)c3nc(C)no3)c2C)cc1
InChIInChI=1S/C18H22N6O3/c1-11-15(16(25)20-18(3,4)17-19-12(2)22-27-17)21-23-24(11)10-13-6-8-14(26-5)9-7-13/h6-9H,10H2,1-5H3,(H,20,25)
InChIKeyNZSSUXGEJPSVIV-UHFFFAOYSA-N
XLogP2.00
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 13436393
5-methyl-N-[4-(3-methylbutoxy)phenyl]-1-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 42602928
1-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642733
5-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 102644508
5-[(1-cyclopropyl-1-hydroxyethyl)amino]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 138631228
1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide
CID 42602961
1-benzyl-N-[1-(4-methoxy-2,6-dimethylphenyl)ethyl]-5-methyltriazole-4-carboxamide
CID 177492776
4-chloro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]benzamide
CID 134337628
3-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxylic acid
CID 82384081
4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ylcarbamoylamino]methyl]benzoic acid
CID 122020465
1-[(4-bromophenyl)methyl]-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide
CID 42602924
5-amino-N-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 20862642

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]triazole-4-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]triazole-4-carboxamide (CID 136549710) is 1-[(4-methoxyphenyl)methyl]-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]triazole-4-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]triazole-4-carboxamide is COc1ccc(Cn2nnc(C(=O)NC(C)(C)c3nc(C)no3)c2C)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]triazole-4-carboxamide?
The InChIKey is NZSSUXGEJPSVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-11-15(16(25)20-18(3,4)17-19-12(2)22-27-17)21-23-24(11)10-13-6-8-14(26-5)9-7-13/h6-9H,10H2,1-5H3,(H,20,25).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]triazole-4-carboxamide?
1-[(4-methoxyphenyl)methyl]-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]triazole-4-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]triazole-4-carboxamide is sourced from PubChem (CID 136549710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).