(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-phenyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide

C19H22N4O2 — CID 138051875

IUPAC(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-phenyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1
InChIInChI=1S/C19H22N4O2/c24-18(20-15-6-2-1-3-7-15)23-11-14-5-4-10-19(14,12-23)17-22-21-16(25-17)13-8-9-13/h1-3,6-7,13-14H,4-5,8-12H2,(H,20,24)/t14-,19-/m0/s1
InChIKeyZVYMSGXYPIJBSH-LIRRHRJNSA-N
MW338.41 g/mol
LogP3.53
Rot. Bonds3

About (3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-phenyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide

(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-phenyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide (PubChem CID 138051875) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-phenyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-phenyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
PubChem CID138051875
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-phenyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1
InChIInChI=1S/C19H22N4O2/c24-18(20-15-6-2-1-3-7-15)23-11-14-5-4-10-19(14,12-23)17-22-21-16(25-17)13-8-9-13/h1-3,6-7,13-14H,4-5,8-12H2,(H,20,24)/t14-,19-/m0/s1
InChIKeyZVYMSGXYPIJBSH-LIRRHRJNSA-N
XLogP3.53
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-phenyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide with MolForge

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Related Compounds

4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide
CID 9189319
4a-hydroxy-N-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 81103476
(3aS,6aR)-2-[[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122013625
2-[2-[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethoxy]benzonitrile
CID 154768120
(3aS,6aR)-2-(naphthalen-2-ylcarbamoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122073556
(3aS,6aR)-2-[(4-chlorophenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122073559
(3aS,6aR)-2-[1-(phenylcarbamoyl)piperidine-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120681943
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
(3aS,6aR)-2-[(3-methoxyphenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122073446
(3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1-phenylcyclopropanecarbonyl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 146068653
[(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone
CID 97422355
(3aS,6aR)-2-[(3-pyridin-2-yloxyphenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122085973

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-phenyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of (3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-phenyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide (CID 138051875) is (3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-phenyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for (3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-phenyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for (3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-phenyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide is O=C(Nc1ccccc1)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1.
What is the InChIKey of (3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-phenyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is ZVYMSGXYPIJBSH-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(20-15-6-2-1-3-7-15)23-11-14-5-4-10-19(14,12-23)17-22-21-16(25-17)13-8-9-13/h1-3,6-7,13-14H,4-5,8-12H2,(H,20,24)/t14-,19-/m0/s1.
What are the key properties of (3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-phenyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-phenyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-phenyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 138051875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).