2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-cyclohexylacetamide;hydrochloride

C17H27ClN4O2 — CID 120835182

IUPAC2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-cyclohexylacetamide;hydrochloride
SMILESCl.O=C(Cc1noc([C@@]23CCC[C@@H]2CNC3)n1)NC1CCCCC1
InChIInChI=1S/C17H26N4O2.ClH/c22-15(19-13-6-2-1-3-7-13)9-14-20-16(23-21-14)17-8-4-5-12(17)10-18-11-17;/h12-13,18H,1-11H2,(H,19,22);1H/t12-,17-;/m1./s1
InChIKeyZKXWTTNMFUPGBE-JSUROZADSA-N
MW354.88 g/mol
LogP2.12
Rot. Bonds4

About 2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-cyclohexylacetamide;hydrochloride

2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-cyclohexylacetamide;hydrochloride (PubChem CID 120835182) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-cyclohexylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-cyclohexylacetamide;hydrochloride
PubChem CID120835182
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-cyclohexylacetamide;hydrochloride
SMILESCl.O=C(Cc1noc([C@@]23CCC[C@@H]2CNC3)n1)NC1CCCCC1
InChIInChI=1S/C17H26N4O2.ClH/c22-15(19-13-6-2-1-3-7-13)9-14-20-16(23-21-14)17-8-4-5-12(17)10-18-11-17;/h12-13,18H,1-11H2,(H,19,22);1H/t12-,17-;/m1./s1
InChIKeyZKXWTTNMFUPGBE-JSUROZADSA-N
XLogP2.12
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-cyclohexylacetamide;hydrochloride with MolForge

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Related Compounds

2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide
CID 120835352
N-cyclohexyl-2-[5-[(2S)-morpholin-2-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835213
2-[5-[(E)-2-cyclohexyl-1-fluoroethenyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide
CID 138041785
N-cyclopentyl-2-[5-(2-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 86801808
N-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 99716263
N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 120835209
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120838748
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[4-[(2-fluorophenoxy)methyl]phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120840679
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 120838749
N-cyclohexyl-2-[5-(2,5-dioxaspiro[3.5]non-7-en-7-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 167951534
N-cyclohexyl-2-[5-[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 100643670
N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 110677317

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-cyclohexylacetamide;hydrochloride?
The IUPAC name of 2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-cyclohexylacetamide;hydrochloride (CID 120835182) is 2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-cyclohexylacetamide;hydrochloride.
What is the SMILES notation for 2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-cyclohexylacetamide;hydrochloride?
The canonical SMILES for 2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-cyclohexylacetamide;hydrochloride is Cl.O=C(Cc1noc([C@@]23CCC[C@@H]2CNC3)n1)NC1CCCCC1.
What is the InChIKey of 2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-cyclohexylacetamide;hydrochloride?
The InChIKey is ZKXWTTNMFUPGBE-JSUROZADSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c22-15(19-13-6-2-1-3-7-13)9-14-20-16(23-21-14)17-8-4-5-12(17)10-18-11-17;/h12-13,18H,1-11H2,(H,19,22);1H/t12-,17-;/m1./s1.
What are the key properties of 2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-cyclohexylacetamide;hydrochloride?
2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-cyclohexylacetamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-cyclohexylacetamide;hydrochloride is sourced from PubChem (CID 120835182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).