2-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole

C13H19N5O — CID 131950271

IUPAC2-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1nc2c([nH]1)CN(Cc1nnc(C(C)C)o1)CC2
InChIInChI=1S/C13H19N5O/c1-8(2)13-17-16-12(19-13)7-18-5-4-10-11(6-18)15-9(3)14-10/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyZBNQVAGMLGDVOR-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.78
Rot. Bonds3

About 2-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole

2-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 131950271) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID131950271
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1nc2c([nH]1)CN(Cc1nnc(C(C)C)o1)CC2
InChIInChI=1S/C13H19N5O/c1-8(2)13-17-16-12(19-13)7-18-5-4-10-11(6-18)15-9(3)14-10/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyZBNQVAGMLGDVOR-UHFFFAOYSA-N
XLogP1.78
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole (CID 131950271) is 2-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole is Cc1nc2c([nH]1)CN(Cc1nnc(C(C)C)o1)CC2.
What is the InChIKey of 2-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is ZBNQVAGMLGDVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8(2)13-17-16-12(19-13)7-18-5-4-10-11(6-18)15-9(3)14-10/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 261.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 131950271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).