[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

C22H27N3O2 — CID 171148969

IUPAC[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
SMILESCC(C)c1nc(C23CCCC2CN(C(=O)C2(c4ccccc4)CC2)C3)no1
InChIInChI=1S/C22H27N3O2/c1-15(2)18-23-19(24-27-18)22-10-6-9-17(22)13-25(14-22)20(26)21(11-12-21)16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3
InChIKeyGPHFRQRGXGSWPR-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.80
Rot. Bonds4

About [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

[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 (PubChem CID 171148969) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID171148969
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name[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
SMILESCC(C)c1nc(C23CCCC2CN(C(=O)C2(c4ccccc4)CC2)C3)no1
InChIInChI=1S/C22H27N3O2/c1-15(2)18-23-19(24-27-18)22-10-6-9-17(22)13-25(14-22)20(26)21(11-12-21)16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3
InChIKeyGPHFRQRGXGSWPR-UHFFFAOYSA-N
XLogP3.80
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)c1nc(C23CCCC2CN(C(=O)C2(c4ccccc4)CC2)C3)no1.
What is the InChIKey of [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?
The InChIKey is GPHFRQRGXGSWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15(2)18-23-19(24-27-18)22-10-6-9-17(22)13-25(14-22)20(26)21(11-12-21)16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3.
What are the key properties of [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?
[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 has a molecular weight of 365.48 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 171148969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).