[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrazin-2-ylmethanone

C14H13F2N5O2 — CID 156610798

IUPAC[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CC(F)(F)CC1c1nc(C2CC2)no1
InChIInChI=1S/C14H13F2N5O2/c15-14(16)5-10(12-19-11(20-23-12)8-1-2-8)21(7-14)13(22)9-6-17-3-4-18-9/h3-4,6,8,10H,1-2,5,7H2
InChIKeySOVSTZCCXJBMGA-UHFFFAOYSA-N
MW321.29 g/mol
LogP1.96
Rot. Bonds3

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

[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 156610798) has the molecular formula C14H13F2N5O2 and a molecular weight of 321.29 g/mol. Its IUPAC name is [2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID156610798
Molecular FormulaC14H13F2N5O2
Molecular Weight321.29 g/mol
Exact Mass321.10
IUPAC Name[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CC(F)(F)CC1c1nc(C2CC2)no1
InChIInChI=1S/C14H13F2N5O2/c15-14(16)5-10(12-19-11(20-23-12)8-1-2-8)21(7-14)13(22)9-6-17-3-4-18-9/h3-4,6,8,10H,1-2,5,7H2
InChIKeySOVSTZCCXJBMGA-UHFFFAOYSA-N
XLogP1.96
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
CID 110203127
3-cyclopropyl-5-[(2S)-4,4-difluoro-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 110203134
3-cyclopropyl-5-[(2S)-1-ethylsulfonyl-4,4-difluoropyrrolidin-2-yl]-1,2,4-oxadiazole
CID 110203142
[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 91918799
[(3R)-3-amino-1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-1-oxo-4-(2,4,5-trifluorophenyl)butan-2-yl] formate
CID 140522046
pyrazin-2-yl-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 53192003
[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95110659
4-[(2S)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 110203124
[(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95057584
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 91946483
[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95116507
cyclopropyl-[(2S,4R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]methanone
CID 155958280

Frequently Asked Questions

What is the IUPAC name of [2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 156610798) is [2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CC(F)(F)CC1c1nc(C2CC2)no1.
What is the InChIKey of [2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is SOVSTZCCXJBMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5O2/c15-14(16)5-10(12-19-11(20-23-12)8-1-2-8)21(7-14)13(22)9-6-17-3-4-18-9/h3-4,6,8,10H,1-2,5,7H2.
What are the key properties of [2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 321.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 156610798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).