(3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one

C17H21ClN4O2 — CID 95306666

IUPAC(3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one
SMILESCCCc1noc(CN(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)n1
InChIInChI=1S/C17H21ClN4O2/c1-3-6-15-19-16(24-20-15)11-21(2)14-9-10-22(17(14)23)13-8-5-4-7-12(13)18/h4-5,7-8,14H,3,6,9-11H2,1-2H3/t14-/m1/s1
InChIKeyPXJUMVIHNIMAAR-CQSZACIVSA-N
MW348.83 g/mol
LogP2.91
Rot. Bonds6

About (3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one

(3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one (PubChem CID 95306666) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is (3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one
PubChem CID95306666
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name(3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one
SMILESCCCc1noc(CN(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)n1
InChIInChI=1S/C17H21ClN4O2/c1-3-6-15-19-16(24-20-15)11-21(2)14-9-10-22(17(14)23)13-8-5-4-7-12(13)18/h4-5,7-8,14H,3,6,9-11H2,1-2H3/t14-/m1/s1
InChIKeyPXJUMVIHNIMAAR-CQSZACIVSA-N
XLogP2.91
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one
CID 56787466
(3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one
CID 95619951
(3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 95623639
(3R)-1-(2-chlorophenyl)-3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]pyrrolidin-2-one
CID 95331492
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 120751933
(3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one
CID 125138396
(3R)-3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1-(2-chlorophenyl)pyrrolidin-2-one
CID 97002639
1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 56787467
1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one
CID 133460651
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-phenylpyrrolidin-2-one;hydrochloride
CID 120751794
1-(2-chlorobenzoyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 131933729

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one (CID 95306666) is (3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one is CCCc1noc(CN(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)n1.
What is the InChIKey of (3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one?
The InChIKey is PXJUMVIHNIMAAR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-3-6-15-19-16(24-20-15)11-21(2)14-9-10-22(17(14)23)13-8-5-4-7-12(13)18/h4-5,7-8,14H,3,6,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one?
(3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one has a molecular weight of 348.83 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 95306666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).