2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole

C13H13F2N5O — CID 175784340

IUPAC2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(N3CC4CC3CN4)nc2)o1
InChIInChI=1S/C13H13F2N5O/c14-11(15)13-19-18-12(21-13)7-1-2-10(17-4-7)20-6-8-3-9(20)5-16-8/h1-2,4,8-9,11,16H,3,5-6H2
InChIKeyZOIOUGKWHVCTEN-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.62
Rot. Bonds3

About 2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole

2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole (PubChem CID 175784340) has the molecular formula C13H13F2N5O and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
PubChem CID175784340
Molecular FormulaC13H13F2N5O
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(N3CC4CC3CN4)nc2)o1
InChIInChI=1S/C13H13F2N5O/c14-11(15)13-19-18-12(21-13)7-1-2-10(17-4-7)20-6-8-3-9(20)5-16-8/h1-2,4,8-9,11,16H,3,5-6H2
InChIKeyZOIOUGKWHVCTEN-UHFFFAOYSA-N
XLogP1.62
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

(1S,4S)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 171513979
3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-[N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]anilino]cyclobut-3-ene-1,2-dione
CID 169230842
2-[4-[[4-[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]triazol-1-yl]methyl]-3-fluorophenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162767353
3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-[N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]anilino]cyclobut-3-ene-1,2-dione
CID 171514152
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3,4-difluorophenyl)-2,5-diazabicyclo[2.2.1]heptane-2-carbothioamide
CID 165402457
(1S,4S)-2-(5-phenylmethoxy-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
CID 129055729
2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride
CID 146675318
(1S,4S)-2-pyrazin-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 15813434
CID 162722400
CID 162722400
2-(difluoromethyl)-5-[4-[[5-(6-piperazin-1-yl-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722479
(1S,4S)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-5-(thietan-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 171514052
2-(difluoromethyl)-5-[6-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443587

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole (CID 175784340) is 2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(N3CC4CC3CN4)nc2)o1.
What is the InChIKey of 2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The InChIKey is ZOIOUGKWHVCTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5O/c14-11(15)13-19-18-12(21-13)7-1-2-10(17-4-7)20-6-8-3-9(20)5-16-8/h1-2,4,8-9,11,16H,3,5-6H2.
What are the key properties of 2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole has a molecular weight of 293.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 175784340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).