[(2S)-4,4-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C17H13F2N5O2 — CID 110203108

IUPAC[(2S)-4,4-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CC(F)(F)C[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H13F2N5O2/c18-17(19)8-13(24(10-17)16(25)12-9-20-6-7-21-12)15-22-14(23-26-15)11-4-2-1-3-5-11/h1-7,9,13H,8,10H2/t13-/m0/s1
InChIKeyZBTIKEPNVSNXFZ-ZDUSSCGKSA-N
MW357.32 g/mol
LogP2.75
Rot. Bonds3

About [(2S)-4,4-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[(2S)-4,4-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 110203108) has the molecular formula C17H13F2N5O2 and a molecular weight of 357.32 g/mol. Its IUPAC name is [(2S)-4,4-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-4,4-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID110203108
Molecular FormulaC17H13F2N5O2
Molecular Weight357.32 g/mol
Exact Mass357.10
IUPAC Name[(2S)-4,4-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CC(F)(F)C[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H13F2N5O2/c18-17(19)8-13(24(10-17)16(25)12-9-20-6-7-21-12)15-22-14(23-26-15)11-4-2-1-3-5-11/h1-7,9,13H,8,10H2/t13-/m0/s1
InChIKeyZBTIKEPNVSNXFZ-ZDUSSCGKSA-N
XLogP2.75
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4,4-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(2S)-4,4-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 110203108) is [(2S)-4,4-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(2S)-4,4-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(2S)-4,4-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CC(F)(F)C[C@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of [(2S)-4,4-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is ZBTIKEPNVSNXFZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H13F2N5O2/c18-17(19)8-13(24(10-17)16(25)12-9-20-6-7-21-12)15-22-14(23-26-15)11-4-2-1-3-5-11/h1-7,9,13H,8,10H2/t13-/m0/s1.
What are the key properties of [(2S)-4,4-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[(2S)-4,4-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 357.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4,4-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 110203108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).