N-[2-[5-(1-thiophen-2-ylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

C17H23N3O2S — CID 71863983

IUPACN-[2-[5-(1-thiophen-2-ylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(C2(c3cccs3)CCCCC2)n1
InChIInChI=1S/C17H23N3O2S/c1-12(21)19-16(2,3)14-18-15(22-20-14)17(9-5-4-6-10-17)13-8-7-11-23-13/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,21)
InChIKeyNPFHKRUQTLHYFM-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.75
Rot. Bonds4

About N-[2-[5-(1-thiophen-2-ylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

N-[2-[5-(1-thiophen-2-ylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 71863983) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[2-[5-(1-thiophen-2-ylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(1-thiophen-2-ylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID71863983
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[2-[5-(1-thiophen-2-ylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(C2(c3cccs3)CCCCC2)n1
InChIInChI=1S/C17H23N3O2S/c1-12(21)19-16(2,3)14-18-15(22-20-14)17(9-5-4-6-10-17)13-8-7-11-23-13/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,21)
InChIKeyNPFHKRUQTLHYFM-UHFFFAOYSA-N
XLogP3.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[5-(1-thiophen-2-ylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide with MolForge

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Related Compounds

3-methyl-N~2~-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-thiophenecarboxamide
CID 53181902
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
1-[5-[(2-Fluorophenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850717
1-[5-[(3,4-Difluorophenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850725
1-[5-[(2,4-Difluorophenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850742
1-[5-[(4-Fluorophenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851652
1-[5-[(2,5-Difluorophenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120854693
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-thiophen-2-ylpropanamide
CID 36229397
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(2-thienyl)acetamide
CID 71792025
5-Adamantan-1-yl-3-thiophen-2-ylmethyl-[1,2,4]oxadiazole
CID 57577043
5-(7-Methyl-3-bicyclo[3.3.1]nonanyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 71031582

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1-thiophen-2-ylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-(1-thiophen-2-ylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 71863983) is N-[2-[5-(1-thiophen-2-ylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-(1-thiophen-2-ylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-(1-thiophen-2-ylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc(C2(c3cccs3)CCCCC2)n1.
What is the InChIKey of N-[2-[5-(1-thiophen-2-ylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is NPFHKRUQTLHYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12(21)19-16(2,3)14-18-15(22-20-14)17(9-5-4-6-10-17)13-8-7-11-23-13/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,21).
What are the key properties of N-[2-[5-(1-thiophen-2-ylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-(1-thiophen-2-ylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 333.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1-thiophen-2-ylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 71863983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).