(4aR,6R,7aR)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one

C17H22N4O3 — CID 135102722

IUPAC(4aR,6R,7aR)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
SMILESCN1C[C@@H]2C[C@H](N(C)Cc3nc(-c4ccco4)no3)C[C@@H]2CC1=O
InChIInChI=1S/C17H22N4O3/c1-20(10-15-18-17(19-24-15)14-4-3-5-23-14)13-6-11-8-16(22)21(2)9-12(11)7-13/h3-5,11-13H,6-10H2,1-2H3/t11-,12+,13-/m1/s1
InChIKeyGRLHRGBACDYWSO-FRRDWIJNSA-N
MW330.39 g/mol
LogP2.02
Rot. Bonds4

About (4aR,6R,7aR)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one

(4aR,6R,7aR)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one (PubChem CID 135102722) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (4aR,6R,7aR)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one.

Molecular Properties

Compound Name(4aR,6R,7aR)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
PubChem CID135102722
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(4aR,6R,7aR)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
SMILESCN1C[C@@H]2C[C@H](N(C)Cc3nc(-c4ccco4)no3)C[C@@H]2CC1=O
InChIInChI=1S/C17H22N4O3/c1-20(10-15-18-17(19-24-15)14-4-3-5-23-14)13-6-11-8-16(22)21(2)9-12(11)7-13/h3-5,11-13H,6-10H2,1-2H3/t11-,12+,13-/m1/s1
InChIKeyGRLHRGBACDYWSO-FRRDWIJNSA-N
XLogP2.02
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4aR,6R,7aR)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aR,6R,7aR)-6-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
CID 135119950
(4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
CID 134712054
(4aR,6R,7aR)-6-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
CID 135096513
N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
CID 66184076
(4aR,6R,7aR)-6-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
CID 135117979
1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 87022799
(1S,2R)-4,6-dichloro-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,3-dihydro-1H-inden-2-ol
CID 98871586
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 134019576
5-(1-ethylsulfonylazetidin-3-yl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 90509216
3-(furan-2-yl)-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole
CID 66207662
2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 62014677
2-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-phenylacetamide
CID 135103671

Frequently Asked Questions

What is the IUPAC name of (4aR,6R,7aR)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one?
The IUPAC name of (4aR,6R,7aR)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one (CID 135102722) is (4aR,6R,7aR)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one.
What is the SMILES notation for (4aR,6R,7aR)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one?
The canonical SMILES for (4aR,6R,7aR)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one is CN1C[C@@H]2C[C@H](N(C)Cc3nc(-c4ccco4)no3)C[C@@H]2CC1=O.
What is the InChIKey of (4aR,6R,7aR)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one?
The InChIKey is GRLHRGBACDYWSO-FRRDWIJNSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-20(10-15-18-17(19-24-15)14-4-3-5-23-14)13-6-11-8-16(22)21(2)9-12(11)7-13/h3-5,11-13H,6-10H2,1-2H3/t11-,12+,13-/m1/s1.
What are the key properties of (4aR,6R,7aR)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one?
(4aR,6R,7aR)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one has a molecular weight of 330.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6R,7aR)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one is sourced from PubChem (CID 135102722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).