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

C15H19N3O2S — CID 53181902

IUPAC3-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide
SMILESCc1noc(C2(NC(=O)c3sccc3C)CCCCC2)n1
InChIInChI=1S/C15H19N3O2S/c1-10-6-9-21-12(10)13(19)17-15(7-4-3-5-8-15)14-16-11(2)18-20-14/h6,9H,3-5,7-8H2,1-2H3,(H,17,19)
InChIKeyJOLAJSIHHQGUAI-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.34
Rot. Bonds3

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

3-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide (PubChem CID 53181902) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide
PubChem CID53181902
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide
SMILESCc1noc(C2(NC(=O)c3sccc3C)CCCCC2)n1
InChIInChI=1S/C15H19N3O2S/c1-10-6-9-21-12(10)13(19)17-15(7-4-3-5-8-15)14-16-11(2)18-20-14/h6,9H,3-5,7-8H2,1-2H3,(H,17,19)
InChIKeyJOLAJSIHHQGUAI-UHFFFAOYSA-N
XLogP3.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-thiophen-2-yl(2-(3-m-tolyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
CID 54582622
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophenecarboxamide
CID 1250645
N-hydroxy-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide
CID 46190556
[2-(3-Ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 56686177
[2-(3-Ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 56728135
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)thiophene-2-carboxamide
CID 2991389
N-Benzyl-2-{2-[3-(thiophen-2-YL)-1,2,4-oxadiazol-5-YL]piperidin-1-YL}acetamide
CID 53177891
5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-thiophenecarboxamide
CID 53181903
N-(1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl)-2-(thiophen-3-yl)acetamide
CID 71791995
N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 6502034
3-fluoro-N-methyl-N-{[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
CID 17680517
4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide
CID 45505629

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide (CID 53181902) is 3-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide is Cc1noc(C2(NC(=O)c3sccc3C)CCCCC2)n1.
What is the InChIKey of 3-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide?
The InChIKey is JOLAJSIHHQGUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-6-9-21-12(10)13(19)17-15(7-4-3-5-8-15)14-16-11(2)18-20-14/h6,9H,3-5,7-8H2,1-2H3,(H,17,19).
What are the key properties of 3-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide?
3-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 53181902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).