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

C12H11N5O2 — CID 79344450

IUPAC3-(furan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
SMILESc1coc(-c2noc(C3Cc4nc[nH]c4CN3)n2)c1
InChIInChI=1S/C12H11N5O2/c1-2-10(18-3-1)11-16-12(19-17-11)8-4-7-9(5-13-8)15-6-14-7/h1-3,6,8,13H,4-5H2,(H,14,15)
InChIKeyZAQUJLSYLSNDBQ-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.44
Rot. Bonds2

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

3-(furan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 79344450) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID79344450
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name3-(furan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
SMILESc1coc(-c2noc(C3Cc4nc[nH]c4CN3)n2)c1
InChIInChI=1S/C12H11N5O2/c1-2-10(18-3-1)11-16-12(19-17-11)8-4-7-9(5-13-8)15-6-14-7/h1-3,6,8,13H,4-5H2,(H,14,15)
InChIKeyZAQUJLSYLSNDBQ-UHFFFAOYSA-N
XLogP1.44
TPSA92.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole (CID 79344450) is 3-(furan-2-yl)-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-(furan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole is c1coc(-c2noc(C3Cc4nc[nH]c4CN3)n2)c1.
What is the InChIKey of 3-(furan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is ZAQUJLSYLSNDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-2-10(18-3-1)11-16-12(19-17-11)8-4-7-9(5-13-8)15-6-14-7/h1-3,6,8,13H,4-5H2,(H,14,15).
What are the key properties of 3-(furan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
3-(furan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 257.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 79344450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).