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

C21H20N6O2S — CID 52559560

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C2(NC(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)CCCC2)no1
InChIInChI=1S/C21H20N6O2S/c1-14-22-20(26-29-14)21(11-5-6-12-21)24-19(28)17-23-18(16-10-7-13-30-16)27(25-17)15-8-3-2-4-9-15/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,24,28)
InChIKeyZOTQLGCXZYONCV-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.89
Rot. Bonds5

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

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 52559560) has the molecular formula C21H20N6O2S and a molecular weight of 420.50 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID52559560
Molecular FormulaC21H20N6O2S
Molecular Weight420.50 g/mol
Exact Mass420.14
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C2(NC(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)CCCC2)no1
InChIInChI=1S/C21H20N6O2S/c1-14-22-20(26-29-14)21(11-5-6-12-21)24-19(28)17-23-18(16-10-7-13-30-16)27(25-17)15-8-3-2-4-9-15/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,24,28)
InChIKeyZOTQLGCXZYONCV-UHFFFAOYSA-N
XLogP3.89
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.89
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]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55766192
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643
1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55621989
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide
CID 154748377
N-[2-(diethylamino)-2-oxoethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 48503702
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55980989
N-(4-methylsulfonylphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55504619
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 86825664
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55526538
N'-[2-(4-methylanilino)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide
CID 55505843
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
4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide
CID 55622264

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 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) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is Cc1nc(C2(NC(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)CCCC2)no1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is ZOTQLGCXZYONCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2S/c1-14-22-20(26-29-14)21(11-5-6-12-21)24-19(28)17-23-18(16-10-7-13-30-16)27(25-17)15-8-3-2-4-9-15/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,24,28).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 420.50 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 52559560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).