3-[2-(2,2-difluoroethoxy)ethyl]-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole

C12H15F2N5O2 — CID 103146418

IUPAC3-[2-(2,2-difluoroethoxy)ethyl]-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
SMILESFC(F)COCCc1noc(C2Cc3nc[nH]c3CN2)n1
InChIInChI=1S/C12H15F2N5O2/c13-10(14)5-20-2-1-11-18-12(21-19-11)8-3-7-9(4-15-8)17-6-16-7/h6,8,10,15H,1-5H2,(H,16,17)
InChIKeyHFQXYGLGESEKBQ-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.00
Rot. Bonds6

About 3-[2-(2,2-difluoroethoxy)ethyl]-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole

3-[2-(2,2-difluoroethoxy)ethyl]-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 103146418) has the molecular formula C12H15F2N5O2 and a molecular weight of 299.28 g/mol. Its IUPAC name is 3-[2-(2,2-difluoroethoxy)ethyl]-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(2,2-difluoroethoxy)ethyl]-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID103146418
Molecular FormulaC12H15F2N5O2
Molecular Weight299.28 g/mol
Exact Mass299.12
IUPAC Name3-[2-(2,2-difluoroethoxy)ethyl]-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
SMILESFC(F)COCCc1noc(C2Cc3nc[nH]c3CN2)n1
InChIInChI=1S/C12H15F2N5O2/c13-10(14)5-20-2-1-11-18-12(21-19-11)8-3-7-9(4-15-8)17-6-16-7/h6,8,10,15H,1-5H2,(H,16,17)
InChIKeyHFQXYGLGESEKBQ-UHFFFAOYSA-N
XLogP1.00
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-difluoroethoxy)ethyl]-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(2,2-difluoroethoxy)ethyl]-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole (CID 103146418) is 3-[2-(2,2-difluoroethoxy)ethyl]-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(2,2-difluoroethoxy)ethyl]-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(2,2-difluoroethoxy)ethyl]-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole is FC(F)COCCc1noc(C2Cc3nc[nH]c3CN2)n1.
What is the InChIKey of 3-[2-(2,2-difluoroethoxy)ethyl]-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is HFQXYGLGESEKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O2/c13-10(14)5-20-2-1-11-18-12(21-19-11)8-3-7-9(4-15-8)17-6-16-7/h6,8,10,15H,1-5H2,(H,16,17).
What are the key properties of 3-[2-(2,2-difluoroethoxy)ethyl]-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
3-[2-(2,2-difluoroethoxy)ethyl]-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 299.28 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-difluoroethoxy)ethyl]-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 103146418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).