5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole

C15H14F4N4O2 — CID 155600976

IUPAC5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole
SMILESFC(F)Oc1cc(-c2noc(C3C(F)(F)C34CCNCC4)n2)ccn1
InChIInChI=1S/C15H14F4N4O2/c16-13(17)24-9-7-8(1-4-21-9)11-22-12(25-23-11)10-14(15(10,18)19)2-5-20-6-3-14/h1,4,7,10,13,20H,2-3,5-6H2
InChIKeyXRRKIXJHSZTSMC-UHFFFAOYSA-N
MW358.30 g/mol
LogP2.84
Rot. Bonds4

About 5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole

5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole (PubChem CID 155600976) has the molecular formula C15H14F4N4O2 and a molecular weight of 358.30 g/mol. Its IUPAC name is 5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole
PubChem CID155600976
Molecular FormulaC15H14F4N4O2
Molecular Weight358.30 g/mol
Exact Mass358.11
IUPAC Name5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole
SMILESFC(F)Oc1cc(-c2noc(C3C(F)(F)C34CCNCC4)n2)ccn1
InChIInChI=1S/C15H14F4N4O2/c16-13(17)24-9-7-8(1-4-21-9)11-22-12(25-23-11)10-14(15(10,18)19)2-5-20-6-3-14/h1,4,7,10,13,20H,2-3,5-6H2
InChIKeyXRRKIXJHSZTSMC-UHFFFAOYSA-N
XLogP2.84
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[5-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682021
(1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682050
5-(2-cyclopropyloxyethyl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole
CID 154846251
(1R)-2,2-difluoro-1-[5-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681857
4-cyclopentyl-3-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 136543155
4-(azetidin-3-yloxy)-2-(difluoromethoxy)pyridine
CID 176824819
2-(difluoromethoxy)-4-methylpyridine;ethane
CID 157031932
5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 63123750
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950041
[(1S)-1-[3-[2-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid
CID 155272235
methyl 3-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]benzoate
CID 120841816
(1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681952

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole (CID 155600976) is 5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole is FC(F)Oc1cc(-c2noc(C3C(F)(F)C34CCNCC4)n2)ccn1.
What is the InChIKey of 5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is XRRKIXJHSZTSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N4O2/c16-13(17)24-9-7-8(1-4-21-9)11-22-12(25-23-11)10-14(15(10,18)19)2-5-20-6-3-14/h1,4,7,10,13,20H,2-3,5-6H2.
What are the key properties of 5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole?
5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 358.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 155600976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).