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

C22H16N6O2S — CID 55766192

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)no1
InChIInChI=1S/C22H16N6O2S/c1-14-23-19(27-30-14)16-10-5-6-11-17(16)24-22(29)20-25-21(18-12-7-13-31-18)28(26-20)15-8-3-2-4-9-15/h2-13H,1H3,(H,24,29)
InChIKeyROVAAYZLGJTVPS-UHFFFAOYSA-N
MW428.48 g/mol
LogP4.61
Rot. Bonds5

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

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 55766192) has the molecular formula C22H16N6O2S and a molecular weight of 428.48 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID55766192
Molecular FormulaC22H16N6O2S
Molecular Weight428.48 g/mol
Exact Mass428.11
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)no1
InChIInChI=1S/C22H16N6O2S/c1-14-23-19(27-30-14)16-10-5-6-11-17(16)24-22(29)20-25-21(18-12-7-13-31-18)28(26-20)15-8-3-2-4-9-15/h2-13H,1H3,(H,24,29)
InChIKeyROVAAYZLGJTVPS-UHFFFAOYSA-N
XLogP4.61
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 55765275
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55700588
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 52559560
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55777466
N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 41466857
N-(2,5-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 42090253
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 52584333
N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 52815815
N-(4-methylsulfonylphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55504619
N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-8-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 166234699
1-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 17489181

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (CID 55766192) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is Cc1nc(-c2ccccc2NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)no1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is ROVAAYZLGJTVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O2S/c1-14-23-19(27-30-14)16-10-5-6-11-17(16)24-22(29)20-25-21(18-12-7-13-31-18)28(26-20)15-8-3-2-4-9-15/h2-13H,1H3,(H,24,29).
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 428.48 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 55766192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).