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

C18H17N3O2S — CID 53041766

IUPACN-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1cccc(-c2noc(C3CCCC3)n2)c1)c1ccsc1
InChIInChI=1S/C18H17N3O2S/c22-17(14-8-9-24-11-14)19-15-7-3-6-13(10-15)16-20-18(23-21-16)12-4-1-2-5-12/h3,6-12H,1-2,4-5H2,(H,19,22)
InChIKeyXFUYXYJFPIUKJC-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.71
Rot. Bonds4

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

N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-3-carboxamide (PubChem CID 53041766) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-3-carboxamide
PubChem CID53041766
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1cccc(-c2noc(C3CCCC3)n2)c1)c1ccsc1
InChIInChI=1S/C18H17N3O2S/c22-17(14-8-9-24-11-14)19-15-7-3-6-13(10-15)16-20-18(23-21-16)12-4-1-2-5-12/h3,6-12H,1-2,4-5H2,(H,19,22)
InChIKeyXFUYXYJFPIUKJC-UHFFFAOYSA-N
XLogP4.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-Nitrophenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 573345
N-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
CID 1271521
N~2~-[4-(5-Phenethyl-1,2,4-oxadiazol-3-YL)phenyl]-2-thiophenecarboxamide
CID 1292624
N-{4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-thiophenecarboxamide
CID 2202433
N-(2-ethylphenyl)-3-(3-thien-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 4208137
N-(2-aminophenyl)-7-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)heptanamide
CID 46203950
N-(3-ethylphenyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 5309130
N-(2-aminophenyl)-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide
CID 118735153
N-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide
CID 2739422
2,6-difluoro-N-[2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]benzamide
CID 2741909
2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 6624042
N-(2-{[3-(Thiophen-2-YL)-1,2,4-oxadiazol-5-YL]methyl}phenyl)-2-(trifluoromethyl)benzamide
CID 71800625

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-3-carboxamide (CID 53041766) is N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-3-carboxamide is O=C(Nc1cccc(-c2noc(C3CCCC3)n2)c1)c1ccsc1.
What is the InChIKey of N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-3-carboxamide?
The InChIKey is XFUYXYJFPIUKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-17(14-8-9-24-11-14)19-15-7-3-6-13(10-15)16-20-18(23-21-16)12-4-1-2-5-12/h3,6-12H,1-2,4-5H2,(H,19,22).
What are the key properties of N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-3-carboxamide?
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 53041766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).