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

C12H13N3O2S — CID 91907182

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1noc(C2CC2)n1)c1cccs1
InChIInChI=1S/C12H13N3O2S/c16-11(9-2-1-7-18-9)13-6-5-10-14-12(17-15-10)8-3-4-8/h1-2,7-8H,3-6H2,(H,13,16)
InChIKeyLBOBABYPSOFYTF-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.98
Rot. Bonds5

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

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 91907182) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID91907182
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1noc(C2CC2)n1)c1cccs1
InChIInChI=1S/C12H13N3O2S/c16-11(9-2-1-7-18-9)13-6-5-10-14-12(17-15-10)8-3-4-8/h1-2,7-8H,3-6H2,(H,13,16)
InChIKeyLBOBABYPSOFYTF-UHFFFAOYSA-N
XLogP1.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 91917581
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 91917592
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935158
N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935155
N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 77086255
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-hydroxy-3-phenylpropanamide
CID 77087549
N-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 136578753
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 136518742
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide
CID 83289766
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1,7-dimethylindole-2-carboxamide
CID 72901674
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 5310230
N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 110415417

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide (CID 91907182) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide is O=C(NCCc1noc(C2CC2)n1)c1cccs1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is LBOBABYPSOFYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-11(9-2-1-7-18-9)13-6-5-10-14-12(17-15-10)8-3-4-8/h1-2,7-8H,3-6H2,(H,13,16).
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 91907182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).