1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide

C23H20N4O3 — CID 112821981

IUPAC1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)Nc3cccc(Oc4ccccc4)c3)c2C)cc1
InChIInChI=1S/C23H20N4O3/c1-16-22(25-26-27(16)18-11-13-19(29-2)14-12-18)23(28)24-17-7-6-10-21(15-17)30-20-8-4-3-5-9-20/h3-15H,1-2H3,(H,24,28)
InChIKeyMTSPLPCJKJMAFB-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.63
Rot. Bonds6

About 1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide

1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide (PubChem CID 112821981) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
PubChem CID112821981
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)Nc3cccc(Oc4ccccc4)c3)c2C)cc1
InChIInChI=1S/C23H20N4O3/c1-16-22(25-26-27(16)18-11-13-19(29-2)14-12-18)23(28)24-17-7-6-10-21(15-17)30-20-8-4-3-5-9-20/h3-15H,1-2H3,(H,24,28)
InChIKeyMTSPLPCJKJMAFB-UHFFFAOYSA-N
XLogP4.63
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
N-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane
CID 169248286
1-(4-methoxyphenyl)-5-methyl-N-[2-(3-methylphenoxy)phenyl]triazole-4-carboxamide
CID 112821996
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]benzoate
CID 15944111
5-methyl-1-(4-phenoxyphenyl)triazole-4-carboxylic acid
CID 82200952
5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 15944215
1-(3-methoxyphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16648432
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 112831271
5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17014853
5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide
CID 24825148
5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015784
1-[4-(difluoromethoxy)phenyl]-N-(3-hydroxyphenyl)-5-methyltriazole-4-carboxamide
CID 91885855

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide (CID 112821981) is 1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide is COc1ccc(-n2nnc(C(=O)Nc3cccc(Oc4ccccc4)c3)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide?
The InChIKey is MTSPLPCJKJMAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-16-22(25-26-27(16)18-11-13-19(29-2)14-12-18)23(28)24-17-7-6-10-21(15-17)30-20-8-4-3-5-9-20/h3-15H,1-2H3,(H,24,28).
What are the key properties of 1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide?
1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 112821981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).