1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone

C14H17F2N5O3 — CID 110203109

IUPAC1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCOCCc1noc([C@@H]2CC(F)(F)CN2C(=O)Cn2cccn2)n1
InChIInChI=1S/C14H17F2N5O3/c1-23-6-3-11-18-13(24-19-11)10-7-14(15,16)9-21(10)12(22)8-20-5-2-4-17-20/h2,4-5,10H,3,6-9H2,1H3/t10-/m0/s1
InChIKeyXCBDVEWXLBNVAI-JTQLQIEISA-N
MW341.32 g/mol
LogP1.06
Rot. Bonds6

About 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone

1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 110203109) has the molecular formula C14H17F2N5O3 and a molecular weight of 341.32 g/mol. Its IUPAC name is 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID110203109
Molecular FormulaC14H17F2N5O3
Molecular Weight341.32 g/mol
Exact Mass341.13
IUPAC Name1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCOCCc1noc([C@@H]2CC(F)(F)CN2C(=O)Cn2cccn2)n1
InChIInChI=1S/C14H17F2N5O3/c1-23-6-3-11-18-13(24-19-11)10-7-14(15,16)9-21(10)12(22)8-20-5-2-4-17-20/h2,4-5,10H,3,6-9H2,1H3/t10-/m0/s1
InChIKeyXCBDVEWXLBNVAI-JTQLQIEISA-N
XLogP1.06
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone with MolForge

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Related Compounds

5-(4,4-Difluoro-1-{[1-(propan-2-YL)-1H-pyrazol-4-YL]methyl}pyrrolidin-2-YL)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 124050816
3-(2-Methoxyethyl)-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53604518
3-(2-Methoxyethyl)-5-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53618926
3-(2-Methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56802687
1-[2-(5-Ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 72123809
1-[2-(5-Methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 72123983
1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 110203110
1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 110203111
1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110203128
1-[2-(3-Cyclopropyl-1,2,4-oxadiazol-5-YL)-4,4-difluoropyrrolidin-1-YL]-3-(1H-pyrazol-1-YL)propan-1-one
CID 110203136
1-[2-(3-Cyclopropyl-1,2,4-oxadiazol-5-YL)-4,4-difluoropyrrolidin-1-YL]-2-(3-methyl-1H-pyrazol-1-YL)ethan-1-one
CID 110203137
1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 110203138

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone (CID 110203109) is 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone is COCCc1noc([C@@H]2CC(F)(F)CN2C(=O)Cn2cccn2)n1.
What is the InChIKey of 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is XCBDVEWXLBNVAI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17F2N5O3/c1-23-6-3-11-18-13(24-19-11)10-7-14(15,16)9-21(10)12(22)8-20-5-2-4-17-20/h2,4-5,10H,3,6-9H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 341.32 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 110203109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).