(4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C16H16F3N3O2 — CID 125137757

IUPAC(4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCCc1ccccc1-c1noc([C@H]2CC(=O)N(CC(F)(F)F)C2)n1
InChIInChI=1S/C16H16F3N3O2/c1-2-10-5-3-4-6-12(10)14-20-15(24-21-14)11-7-13(23)22(8-11)9-16(17,18)19/h3-6,11H,2,7-9H2,1H3/t11-/m0/s1
InChIKeySZAIGGIXEOELMM-NSHDSACASA-N
MW339.32 g/mol
LogP3.18
Rot. Bonds4

About (4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 125137757) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is (4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID125137757
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name(4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCCc1ccccc1-c1noc([C@H]2CC(=O)N(CC(F)(F)F)C2)n1
InChIInChI=1S/C16H16F3N3O2/c1-2-10-5-3-4-6-12(10)14-20-15(24-21-14)11-7-13(23)22(8-11)9-16(17,18)19/h3-6,11H,2,7-9H2,1H3/t11-/m0/s1
InChIKeySZAIGGIXEOELMM-NSHDSACASA-N
XLogP3.18
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-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

(4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
CID 125137770
4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 120892563
4-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 167784817
(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 99130341
(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one
CID 99130333
4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 86889081
(4S)-1-(furan-2-ylmethyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 51896258
4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 16955900
(4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51894139
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 139000989
1-(4-fluorophenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16956772
(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 41015202

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 125137757) is (4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CCc1ccccc1-c1noc([C@H]2CC(=O)N(CC(F)(F)F)C2)n1.
What is the InChIKey of (4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is SZAIGGIXEOELMM-NSHDSACASA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-2-10-5-3-4-6-12(10)14-20-15(24-21-14)11-7-13(23)22(8-11)9-16(17,18)19/h3-6,11H,2,7-9H2,1H3/t11-/m0/s1.
What are the key properties of (4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 339.32 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 (4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 125137757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).