(3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one

C17H20ClN3O2 — CID 95619951

IUPAC(3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one
SMILESCc1noc(C)c1CN(C)[C@@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C17H20ClN3O2/c1-11-13(12(2)23-19-11)10-20(3)16-8-9-21(17(16)22)15-7-5-4-6-14(15)18/h4-7,16H,8-10H2,1-3H3/t16-/m1/s1
InChIKeyZOOYKTSEFNBUGC-MRXNPFEDSA-N
MW333.82 g/mol
LogP3.18
Rot. Bonds4

About (3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one

(3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one (PubChem CID 95619951) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one
PubChem CID95619951
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one
SMILESCc1noc(C)c1CN(C)[C@@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C17H20ClN3O2/c1-11-13(12(2)23-19-11)10-20(3)16-8-9-21(17(16)22)15-7-5-4-6-14(15)18/h4-7,16H,8-10H2,1-3H3/t16-/m1/s1
InChIKeyZOOYKTSEFNBUGC-MRXNPFEDSA-N
XLogP3.18
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one
CID 56787466
(3R)-3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1-(2-chlorophenyl)pyrrolidin-2-one
CID 97002639
(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 95898562
1-(2-chlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-2-one
CID 111113625
(3R)-1-(2-chlorophenyl)-3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]pyrrolidin-2-one
CID 95331492
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
1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 56787467
4-[3-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 86937653
(3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one
CID 125138396
1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one
CID 111976754

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one (CID 95619951) is (3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one is Cc1noc(C)c1CN(C)[C@@H]1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of (3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one?
The InChIKey is ZOOYKTSEFNBUGC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11-13(12(2)23-19-11)10-20(3)16-8-9-21(17(16)22)15-7-5-4-6-14(15)18/h4-7,16H,8-10H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one?
(3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one has a molecular weight of 333.82 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one is sourced from PubChem (CID 95619951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).