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

C15H19N3O2S — CID 53181903

IUPAC5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide
SMILESCc1noc(C2(NC(=O)c3ccc(C)s3)CCCCC2)n1
InChIInChI=1S/C15H19N3O2S/c1-10-6-7-12(21-10)13(19)17-15(8-4-3-5-9-15)14-16-11(2)18-20-14/h6-7H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyCOUFTWNZNWOPKR-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.34
Rot. Bonds3

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

5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide (PubChem CID 53181903) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide
PubChem CID53181903
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide
SMILESCc1noc(C2(NC(=O)c3ccc(C)s3)CCCCC2)n1
InChIInChI=1S/C15H19N3O2S/c1-10-6-7-12(21-10)13(19)17-15(8-4-3-5-9-15)14-16-11(2)18-20-14/h6-7H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyCOUFTWNZNWOPKR-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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide (CID 53181903) is 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide is Cc1noc(C2(NC(=O)c3ccc(C)s3)CCCCC2)n1.
What is the InChIKey of 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide?
The InChIKey is COUFTWNZNWOPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-6-7-12(21-10)13(19)17-15(8-4-3-5-9-15)14-16-11(2)18-20-14/h6-7H,3-5,8-9H2,1-2H3,(H,17,19).
What are the key properties of 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide?
5-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 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 53181903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).