(4R)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluoro-5-methylphenyl)pyrrolidin-2-one

C15H16FN3O2 — CID 93492799

IUPAC(4R)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluoro-5-methylphenyl)pyrrolidin-2-one
SMILESCCc1noc([C@@H]2CC(=O)N(c3cc(C)ccc3F)C2)n1
InChIInChI=1S/C15H16FN3O2/c1-3-13-17-15(21-18-13)10-7-14(20)19(8-10)12-6-9(2)4-5-11(12)16/h4-6,10H,3,7-8H2,1-2H3/t10-/m1/s1
InChIKeyPKKRGEBLISGMLK-SNVBAGLBSA-N
MW289.31 g/mol
LogP2.60
Rot. Bonds3

About (4R)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluoro-5-methylphenyl)pyrrolidin-2-one

(4R)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluoro-5-methylphenyl)pyrrolidin-2-one (PubChem CID 93492799) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is (4R)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluoro-5-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluoro-5-methylphenyl)pyrrolidin-2-one
PubChem CID93492799
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name(4R)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluoro-5-methylphenyl)pyrrolidin-2-one
SMILESCCc1noc([C@@H]2CC(=O)N(c3cc(C)ccc3F)C2)n1
InChIInChI=1S/C15H16FN3O2/c1-3-13-17-15(21-18-13)10-7-14(20)19(8-10)12-6-9(2)4-5-11(12)16/h4-6,10H,3,7-8H2,1-2H3/t10-/m1/s1
InChIKeyPKKRGEBLISGMLK-SNVBAGLBSA-N
XLogP2.60
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluoro-5-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluoro-5-methylphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluoro-5-methylphenyl)pyrrolidin-2-one (CID 93492799) is (4R)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluoro-5-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluoro-5-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluoro-5-methylphenyl)pyrrolidin-2-one is CCc1noc([C@@H]2CC(=O)N(c3cc(C)ccc3F)C2)n1.
What is the InChIKey of (4R)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluoro-5-methylphenyl)pyrrolidin-2-one?
The InChIKey is PKKRGEBLISGMLK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-3-13-17-15(21-18-13)10-7-14(20)19(8-10)12-6-9(2)4-5-11(12)16/h4-6,10H,3,7-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (4R)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluoro-5-methylphenyl)pyrrolidin-2-one?
(4R)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluoro-5-methylphenyl)pyrrolidin-2-one has a molecular weight of 289.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluoro-5-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 93492799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).