4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine

C22H30N4O2 — CID 128966757

IUPAC4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine
SMILESc1ccc(-c2noc([C@@]34CCC[C@@H]3CN(CCCN3CCOCC3)C4)n2)cc1
InChIInChI=1S/C22H30N4O2/c1-2-6-18(7-3-1)20-23-21(28-24-20)22-9-4-8-19(22)16-26(17-22)11-5-10-25-12-14-27-15-13-25/h1-3,6-7,19H,4-5,8-17H2/t19-,22-/m1/s1
InChIKeyGJWTZQAUGKQVFO-DENIHFKCSA-N
MW382.51 g/mol
LogP2.81
Rot. Bonds6

About 4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine

4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine (PubChem CID 128966757) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine
PubChem CID128966757
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine
SMILESc1ccc(-c2noc([C@@]34CCC[C@@H]3CN(CCCN3CCOCC3)C4)n2)cc1
InChIInChI=1S/C22H30N4O2/c1-2-6-18(7-3-1)20-23-21(28-24-20)22-9-4-8-19(22)16-26(17-22)11-5-10-25-12-14-27-15-13-25/h1-3,6-7,19H,4-5,8-17H2/t19-,22-/m1/s1
InChIKeyGJWTZQAUGKQVFO-DENIHFKCSA-N
XLogP2.81
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine with MolForge

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Related Compounds

1-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone
CID 128966010
1-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-ethylbutan-1-one
CID 128968019
(2S)-1-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpentan-1-one
CID 129324788
5-[(3aS,6aS)-2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-benzyl-1,2,4-oxadiazole
CID 128967221
5-[(3aS,6aS)-2-[3-(2-methylimidazol-1-yl)propyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 128968025
2-[(3aS,6aS)-3a-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N-(2-methoxyphenyl)acetamide
CID 128967654
5-[(3aS,6aS)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 128971328
5-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 52525759
5-[(3aS,6aS)-2-(1H-pyrazol-5-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-benzyl-1,2,4-oxadiazole
CID 128968920
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
(3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 74229739
3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole
CID 154128947

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine?
The IUPAC name of 4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine (CID 128966757) is 4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine is c1ccc(-c2noc([C@@]34CCC[C@@H]3CN(CCCN3CCOCC3)C4)n2)cc1.
What is the InChIKey of 4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine?
The InChIKey is GJWTZQAUGKQVFO-DENIHFKCSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-2-6-18(7-3-1)20-23-21(28-24-20)22-9-4-8-19(22)16-26(17-22)11-5-10-25-12-14-27-15-13-25/h1-3,6-7,19H,4-5,8-17H2/t19-,22-/m1/s1.
What are the key properties of 4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine?
4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine has a molecular weight of 382.51 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine is sourced from PubChem (CID 128966757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).