5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole

C16H14N4O — CID 80575366

IUPAC5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CC3CNc4ccccc43)n2)nc1
InChIInChI=1S/C16H14N4O/c1-2-6-13-12(5-1)11(10-18-13)9-15-19-16(20-21-15)14-7-3-4-8-17-14/h1-8,11,18H,9-10H2
InChIKeyWJPKUFNOOKWVCV-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.88
Rot. Bonds3

About 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole

5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 80575366) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID80575366
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CC3CNc4ccccc43)n2)nc1
InChIInChI=1S/C16H14N4O/c1-2-6-13-12(5-1)11(10-18-13)9-15-19-16(20-21-15)14-7-3-4-8-17-14/h1-8,11,18H,9-10H2
InChIKeyWJPKUFNOOKWVCV-UHFFFAOYSA-N
XLogP2.88
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 80575366) is 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole is c1ccc(-c2noc(CC3CNc4ccccc43)n2)nc1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is WJPKUFNOOKWVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-2-6-13-12(5-1)11(10-18-13)9-15-19-16(20-21-15)14-7-3-4-8-17-14/h1-8,11,18H,9-10H2.
What are the key properties of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 278.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 80575366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).