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

C17H13F2N5O2 — CID 53039351

IUPAC[2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC1c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C17H13F2N5O2/c18-10-3-4-11(12(19)8-10)15-22-16(26-23-15)14-2-1-7-24(14)17(25)13-9-20-5-6-21-13/h3-6,8-9,14H,1-2,7H2
InChIKeySJXREKZZNRQHOI-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.78
Rot. Bonds3

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

[2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 53039351) has the molecular formula C17H13F2N5O2 and a molecular weight of 357.32 g/mol. Its IUPAC name is [2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID53039351
Molecular FormulaC17H13F2N5O2
Molecular Weight357.32 g/mol
Exact Mass357.10
IUPAC Name[2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC1c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C17H13F2N5O2/c18-10-3-4-11(12(19)8-10)15-22-16(26-23-15)14-2-1-7-24(14)17(25)13-9-20-5-6-21-13/h3-6,8-9,14H,1-2,7H2
InChIKeySJXREKZZNRQHOI-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 53039351) is [2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCCC1c1nc(-c2ccc(F)cc2F)no1.
What is the InChIKey of [2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is SJXREKZZNRQHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5O2/c18-10-3-4-11(12(19)8-10)15-22-16(26-23-15)14-2-1-7-24(14)17(25)13-9-20-5-6-21-13/h3-6,8-9,14H,1-2,7H2.
What are the key properties of [2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 357.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 53039351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).