1-[3a-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3-methylphenyl)ethanone

C21H27N3O2 — CID 171148944

IUPAC1-[3a-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CC3CCCC3(c3noc(C(C)C)n3)C2)c1
InChIInChI=1S/C21H27N3O2/c1-14(2)19-22-20(23-26-19)21-9-5-8-17(21)12-24(13-21)18(25)11-16-7-4-6-15(3)10-16/h4,6-7,10,14,17H,5,8-9,11-13H2,1-3H3
InChIKeySCGNNDXYBJQYSS-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.62
Rot. Bonds4

About 1-[3a-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3-methylphenyl)ethanone

1-[3a-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3-methylphenyl)ethanone (PubChem CID 171148944) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[3a-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[3a-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3-methylphenyl)ethanone
PubChem CID171148944
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-[3a-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CC3CCCC3(c3noc(C(C)C)n3)C2)c1
InChIInChI=1S/C21H27N3O2/c1-14(2)19-22-20(23-26-19)21-9-5-8-17(21)12-24(13-21)18(25)11-16-7-4-6-15(3)10-16/h4,6-7,10,14,17H,5,8-9,11-13H2,1-3H3
InChIKeySCGNNDXYBJQYSS-UHFFFAOYSA-N
XLogP3.62
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3a-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3-methylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3a-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(1-phenylcyclopropyl)methanone
CID 171148969
(3aS,6aR)-2-[3-(3-methylphenyl)propanoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682246
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 79548752
2-(3-methylphenyl)-1-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone
CID 91891904
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 55220165
1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone
CID 90593727
1-[(3aS,6aS)-3a-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dimethylpentan-1-one
CID 128970122
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-(3-methylphenyl)ethanone
CID 79540297
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 66291636
1-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-2-(3-methylphenyl)ethanone
CID 154822380
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251

Frequently Asked Questions

What is the IUPAC name of 1-[3a-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[3a-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3-methylphenyl)ethanone (CID 171148944) is 1-[3a-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[3a-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[3a-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CC3CCCC3(c3noc(C(C)C)n3)C2)c1.
What is the InChIKey of 1-[3a-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is SCGNNDXYBJQYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14(2)19-22-20(23-26-19)21-9-5-8-17(21)12-24(13-21)18(25)11-16-7-4-6-15(3)10-16/h4,6-7,10,14,17H,5,8-9,11-13H2,1-3H3.
What are the key properties of 1-[3a-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3-methylphenyl)ethanone?
1-[3a-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 353.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3a-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 171148944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).