N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide

C15H19N3O3S — CID 136538173

IUPACN-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
SMILESO=C(NCCc1noc(=O)[nH]1)C1(c2cccs2)CCCCC1
InChIInChI=1S/C15H19N3O3S/c19-13(16-9-6-12-17-14(20)21-18-12)15(7-2-1-3-8-15)11-5-4-10-22-11/h4-5,10H,1-3,6-9H2,(H,16,19)(H,17,18,20)
InChIKeyGNFBWUSXOLIKSO-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.99
Rot. Bonds5

About N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide

N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide (PubChem CID 136538173) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
PubChem CID136538173
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
SMILESO=C(NCCc1noc(=O)[nH]1)C1(c2cccs2)CCCCC1
InChIInChI=1S/C15H19N3O3S/c19-13(16-9-6-12-17-14(20)21-18-12)15(7-2-1-3-8-15)11-5-4-10-22-11/h4-5,10H,1-3,6-9H2,(H,16,19)(H,17,18,20)
InChIKeyGNFBWUSXOLIKSO-UHFFFAOYSA-N
XLogP1.99
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide (CID 136538173) is N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide is O=C(NCCc1noc(=O)[nH]1)C1(c2cccs2)CCCCC1.
What is the InChIKey of N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide?
The InChIKey is GNFBWUSXOLIKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c19-13(16-9-6-12-17-14(20)21-18-12)15(7-2-1-3-8-15)11-5-4-10-22-11/h4-5,10H,1-3,6-9H2,(H,16,19)(H,17,18,20).
What are the key properties of N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide?
N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 136538173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).