[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C13H15F2N5O2 — CID 110203243

IUPAC[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCCc1noc([C@@H]2CC(F)(F)CN2C(=O)c2ccnn2C)n1
InChIInChI=1S/C13H15F2N5O2/c1-3-10-17-11(22-18-10)9-6-13(14,15)7-20(9)12(21)8-4-5-16-19(8)2/h4-5,9H,3,6-7H2,1-2H3/t9-/m0/s1
InChIKeyZWJOHLWEBCNQHY-VIFPVBQESA-N
MW311.29 g/mol
LogP1.59
Rot. Bonds3

About [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 110203243) has the molecular formula C13H15F2N5O2 and a molecular weight of 311.29 g/mol. Its IUPAC name is [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID110203243
Molecular FormulaC13H15F2N5O2
Molecular Weight311.29 g/mol
Exact Mass311.12
IUPAC Name[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCCc1noc([C@@H]2CC(F)(F)CN2C(=O)c2ccnn2C)n1
InChIInChI=1S/C13H15F2N5O2/c1-3-10-17-11(22-18-10)9-6-13(14,15)7-20(9)12(21)8-4-5-16-19(8)2/h4-5,9H,3,6-7H2,1-2H3/t9-/m0/s1
InChIKeyZWJOHLWEBCNQHY-VIFPVBQESA-N
XLogP1.59
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone 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 [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 110203243) is [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is CCc1noc([C@@H]2CC(F)(F)CN2C(=O)c2ccnn2C)n1.
What is the InChIKey of [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is ZWJOHLWEBCNQHY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15F2N5O2/c1-3-10-17-11(22-18-10)9-6-13(14,15)7-20(9)12(21)8-4-5-16-19(8)2/h4-5,9H,3,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 311.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110203243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).