3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide

C13H12F2N4O3 — CID 118786622

IUPAC3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1noc(C2CCCO2)n1)c1ncc(F)cc1F
InChIInChI=1S/C13H12F2N4O3/c14-7-4-8(15)11(16-5-7)12(20)17-6-10-18-13(22-19-10)9-2-1-3-21-9/h4-5,9H,1-3,6H2,(H,17,20)
InChIKeyVDCHMGLILHYRLJ-UHFFFAOYSA-N
MW310.26 g/mol
LogP1.52
Rot. Bonds4

About 3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide

3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide (PubChem CID 118786622) has the molecular formula C13H12F2N4O3 and a molecular weight of 310.26 g/mol. Its IUPAC name is 3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
PubChem CID118786622
Molecular FormulaC13H12F2N4O3
Molecular Weight310.26 g/mol
Exact Mass310.09
IUPAC Name3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1noc(C2CCCO2)n1)c1ncc(F)cc1F
InChIInChI=1S/C13H12F2N4O3/c14-7-4-8(15)11(16-5-7)12(20)17-6-10-18-13(22-19-10)9-2-1-3-21-9/h4-5,9H,1-3,6H2,(H,17,20)
InChIKeyVDCHMGLILHYRLJ-UHFFFAOYSA-N
XLogP1.52
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

3-hydroxy-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 125437836
5-ethyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 125172135
7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide
CID 96571082
1-methyl-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125156952
1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
CID 126443305
N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 95729991
N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 92903025
1-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
CID 125178826
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridine-3-carboxamide
CID 131918823
1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea
CID 125167570
3-hydroxy-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyridine-2-carboxamide
CID 99933303
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 121494507

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide (CID 118786622) is 3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide is O=C(NCc1noc(C2CCCO2)n1)c1ncc(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide?
The InChIKey is VDCHMGLILHYRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O3/c14-7-4-8(15)11(16-5-7)12(20)17-6-10-18-13(22-19-10)9-2-1-3-21-9/h4-5,9H,1-3,6H2,(H,17,20).
What are the key properties of 3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide?
3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide has a molecular weight of 310.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 118786622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).