(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

C22H29N5O2 — CID 72885183

IUPAC(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
SMILESCN(Cc1cc(-c2ccccn2)no1)C(=O)[C@@]12CNC[C@@H]1CN(C1CCCC1)C2
InChIInChI=1S/C22H29N5O2/c1-26(13-18-10-20(25-29-18)19-8-4-5-9-24-19)21(28)22-14-23-11-16(22)12-27(15-22)17-6-2-3-7-17/h4-5,8-10,16-17,23H,2-3,6-7,11-15H2,1H3/t16-,22-/m1/s1
InChIKeyVJZIMHKMFOXPFA-OPAMFIHVSA-N
MW395.51 g/mol
LogP2.16
Rot. Bonds5

About (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

(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 (PubChem CID 72885183) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID72885183
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name(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
SMILESCN(Cc1cc(-c2ccccn2)no1)C(=O)[C@@]12CNC[C@@H]1CN(C1CCCC1)C2
InChIInChI=1S/C22H29N5O2/c1-26(13-18-10-20(25-29-18)19-8-4-5-9-24-19)21(28)22-14-23-11-16(22)12-27(15-22)17-6-2-3-7-17/h4-5,8-10,16-17,23H,2-3,6-7,11-15H2,1H3/t16-,22-/m1/s1
InChIKeyVJZIMHKMFOXPFA-OPAMFIHVSA-N
XLogP2.16
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 72940275
N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56717670
N-methyl-3-morpholin-4-yl-5-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 135108657
N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 131925280
N,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide
CID 72863128
N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide
CID 137255549
N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide
CID 91790625
N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 70760489
N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146038741
(4-cyclopentyl-1,4-diazepan-1-yl)-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 71925428
1-[2-[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 50967386
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN(Cc1cc(-c2ccccn2)no1)C(=O)[C@@]12CNC[C@@H]1CN(C1CCCC1)C2.
What is the InChIKey of (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?
The InChIKey is VJZIMHKMFOXPFA-OPAMFIHVSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-26(13-18-10-20(25-29-18)19-8-4-5-9-24-19)21(28)22-14-23-11-16(22)12-27(15-22)17-6-2-3-7-17/h4-5,8-10,16-17,23H,2-3,6-7,11-15H2,1H3/t16-,22-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 395.51 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 72885183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).