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

C15H15N5O — CID 75111408

IUPAC3-benzyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(C3Cc4nc[nH]c4CN3)n2)cc1
InChIInChI=1S/C15H15N5O/c1-2-4-10(5-3-1)6-14-19-15(21-20-14)12-7-11-13(8-16-12)18-9-17-11/h1-5,9,12,16H,6-8H2,(H,17,18)
InChIKeyAAUARFBWMFTIKU-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.77
Rot. Bonds3

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

3-benzyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 75111408) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-benzyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID75111408
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-benzyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(C3Cc4nc[nH]c4CN3)n2)cc1
InChIInChI=1S/C15H15N5O/c1-2-4-10(5-3-1)6-14-19-15(21-20-14)12-7-11-13(8-16-12)18-9-17-11/h1-5,9,12,16H,6-8H2,(H,17,18)
InChIKeyAAUARFBWMFTIKU-UHFFFAOYSA-N
XLogP1.77
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole (CID 75111408) is 3-benzyl-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-benzyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole is c1ccc(Cc2noc(C3Cc4nc[nH]c4CN3)n2)cc1.
What is the InChIKey of 3-benzyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is AAUARFBWMFTIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-4-10(5-3-1)6-14-19-15(21-20-14)12-7-11-13(8-16-12)18-9-17-11/h1-5,9,12,16H,6-8H2,(H,17,18).
What are the key properties of 3-benzyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
3-benzyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 281.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 75111408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).