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

C18H22N4O2 — CID 120835352

IUPAC2-[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
SMILESCc1ccc(NC(=O)Cc2noc([C@@]34CCC[C@@H]3CNC4)n2)cc1
InChIInChI=1S/C18H22N4O2/c1-12-4-6-14(7-5-12)20-16(23)9-15-21-17(24-22-15)18-8-2-3-13(18)10-19-11-18/h4-7,13,19H,2-3,8-11H2,1H3,(H,20,23)/t13-,18-/m1/s1
InChIKeyKUCYVKAPQNKYDI-FZKQIMNGSA-N
MW326.40 g/mol
LogP2.20
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-(4-methylphenyl)acetamide

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 (PubChem CID 120835352) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 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-(4-methylphenyl)acetamide.

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-(4-methylphenyl)acetamide
PubChem CID120835352
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
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-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2noc([C@@]34CCC[C@@H]3CNC4)n2)cc1
InChIInChI=1S/C18H22N4O2/c1-12-4-6-14(7-5-12)20-16(23)9-15-21-17(24-22-15)18-8-2-3-13(18)10-19-11-18/h4-7,13,19H,2-3,8-11H2,1H3,(H,20,23)/t13-,18-/m1/s1
InChIKeyKUCYVKAPQNKYDI-FZKQIMNGSA-N
XLogP2.20
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.20
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-(4-methylphenyl)acetamide with MolForge

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Related Compounds

2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120835324
2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120955587
N-(4-methylphenyl)-2-[5-[(2R)-morpholin-2-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835397
2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838572
2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride
CID 120838608
N-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110856788
N-methyl-N-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 167849389
4-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 63121506
N-(4-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110856796
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 106398305
N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878475
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110623013

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-(4-methylphenyl)acetamide?
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-(4-methylphenyl)acetamide (CID 120835352) 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-(4-methylphenyl)acetamide.
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-(4-methylphenyl)acetamide?
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-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cc2noc([C@@]34CCC[C@@H]3CNC4)n2)cc1.
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-(4-methylphenyl)acetamide?
The InChIKey is KUCYVKAPQNKYDI-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-4-6-14(7-5-12)20-16(23)9-15-21-17(24-22-15)18-8-2-3-13(18)10-19-11-18/h4-7,13,19H,2-3,8-11H2,1H3,(H,20,23)/t13-,18-/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-(4-methylphenyl)acetamide?
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 has a molecular weight of 326.40 g/mol, XLogP of 2.20, 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 120835352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).