1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one

C17H19ClN4O2 — CID 56787466

IUPAC1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one
SMILESCN(Cc1nc(C2CC2)no1)C1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C17H19ClN4O2/c1-21(10-15-19-16(20-24-15)11-6-7-11)14-8-9-22(17(14)23)13-5-3-2-4-12(13)18/h2-5,11,14H,6-10H2,1H3
InChIKeyMOSDYBXCWQSDEE-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.84
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one

1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one (PubChem CID 56787466) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one
PubChem CID56787466
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one
SMILESCN(Cc1nc(C2CC2)no1)C1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C17H19ClN4O2/c1-21(10-15-19-16(20-24-15)11-6-7-11)14-8-9-22(17(14)23)13-5-3-2-4-12(13)18/h2-5,11,14H,6-10H2,1H3
InChIKeyMOSDYBXCWQSDEE-UHFFFAOYSA-N
XLogP2.84
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one with MolForge

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Related Compounds

(3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one
CID 95306666
(3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one
CID 95619951
(3R)-1-(2-chlorophenyl)-3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]pyrrolidin-2-one
CID 95331492
(3R)-3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1-(2-chlorophenyl)pyrrolidin-2-one
CID 97002639
(3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 95623639
1-(2-chlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-2-one
CID 111113625
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 120751933
1-(2-chlorophenyl)-3-[4-hydroxybutyl(methyl)amino]pyrrolidin-2-one
CID 111113627
3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414900
(3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one
CID 125138396
1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one
CID 133460651
(3S)-3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 124813690

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one (CID 56787466) is 1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one is CN(Cc1nc(C2CC2)no1)C1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one?
The InChIKey is MOSDYBXCWQSDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-21(10-15-19-16(20-24-15)11-6-7-11)14-8-9-22(17(14)23)13-5-3-2-4-12(13)18/h2-5,11,14H,6-10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one?
1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one has a molecular weight of 346.82 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one is sourced from PubChem (CID 56787466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).