(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one

C17H27N3O2 — CID 95329043

IUPAC(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H]1[C@@H]1CCCN1C
InChIInChI=1S/C17H27N3O2/c1-11(16-12(2)18-22-13(16)3)17(21)20-10-6-8-15(20)14-7-5-9-19(14)4/h11,14-15H,5-10H2,1-4H3/t11-,14-,15-/m0/s1
InChIKeyUOSHLWYPZBHJMI-CQDKDKBSSA-N
MW305.42 g/mol
LogP2.48
Rot. Bonds3

About (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one

(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 95329043) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID95329043
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H]1[C@@H]1CCCN1C
InChIInChI=1S/C17H27N3O2/c1-11(16-12(2)18-22-13(16)3)17(21)20-10-6-8-15(20)14-7-5-9-19(14)4/h11,14-15H,5-10H2,1-4H3/t11-,14-,15-/m0/s1
InChIKeyUOSHLWYPZBHJMI-CQDKDKBSSA-N
XLogP2.48
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-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

(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95735841
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 95296695
(2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 124694132
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]propan-1-one
CID 111472406
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 95606132
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one
CID 124570591
(3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid
CID 125153746
(3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124690967
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 75469070
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95737246
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95761478
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95302193

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 95329043) is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one is Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H]1[C@@H]1CCCN1C.
What is the InChIKey of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is UOSHLWYPZBHJMI-CQDKDKBSSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-11(16-12(2)18-22-13(16)3)17(21)20-10-6-8-15(20)14-7-5-9-19(14)4/h11,14-15H,5-10H2,1-4H3/t11-,14-,15-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 305.42 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95329043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).