(3aR,6aR)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

C18H29N5O2 — CID 50954774

IUPAC(3aR,6aR)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCCc1nc(CCNC(=O)[C@@]23CNC[C@@H]2CN(C2CCCC2)C3)no1
InChIInChI=1S/C18H29N5O2/c1-2-16-21-15(22-25-16)7-8-20-17(24)18-11-19-9-13(18)10-23(12-18)14-5-3-4-6-14/h13-14,19H,2-12H2,1H3,(H,20,24)/t13-,18-/m1/s1
InChIKeyJSDYBQXEPXYIHK-FZKQIMNGSA-N
MW347.46 g/mol
LogP0.75
Rot. Bonds6

About (3aR,6aR)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

(3aR,6aR)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 50954774) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3aR,6aR)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
PubChem CID50954774
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(3aR,6aR)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCCc1nc(CCNC(=O)[C@@]23CNC[C@@H]2CN(C2CCCC2)C3)no1
InChIInChI=1S/C18H29N5O2/c1-2-16-21-15(22-25-16)7-8-20-17(24)18-11-19-9-13(18)10-23(12-18)14-5-3-4-6-14/h13-14,19H,2-12H2,1H3,(H,20,24)/t13-,18-/m1/s1
InChIKeyJSDYBQXEPXYIHK-FZKQIMNGSA-N
XLogP0.75
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3aS,6aS)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 133135186
(3aR,6aR)-5-cyclopentyl-N-(3-pyridin-4-ylpropyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 50953679
(3aR,6aR)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 72847059
(3aR,6aR)-5-cyclopentyl-N-(2-phenylmethoxyethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide;dihydrochloride
CID 154900322
(3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 50966313
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide;dihydrochloride
CID 154901382
(3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 50975999
(3aR,6aR)-5-cyclopentyl-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 72885183
(3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
CID 130610210
3-(2,5-dihydropyrrol-1-yl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119152825
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 91833132
(3aR,6aR)-N-(2-tert-butylsulfanylethyl)-5-methylsulfonyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 50961657

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (CID 50954774) is (3aR,6aR)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is CCc1nc(CCNC(=O)[C@@]23CNC[C@@H]2CN(C2CCCC2)C3)no1.
What is the InChIKey of (3aR,6aR)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is JSDYBQXEPXYIHK-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-2-16-21-15(22-25-16)7-8-20-17(24)18-11-19-9-13(18)10-23(12-18)14-5-3-4-6-14/h13-14,19H,2-12H2,1H3,(H,20,24)/t13-,18-/m1/s1.
What are the key properties of (3aR,6aR)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 50954774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).