3-(2,3-dihydro-1-benzofuran-6-yl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole

C18H13N3O2 — CID 122193440

IUPAC3-(2,3-dihydro-1-benzofuran-6-yl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole
SMILESc1cc2cc(-c3nc(-c4ccc5c(c4)OCC5)no3)ccc2[nH]1
InChIInChI=1S/C18H13N3O2/c1-2-13(10-16-11(1)6-8-22-16)17-20-18(23-21-17)14-3-4-15-12(9-14)5-7-19-15/h1-5,7,9-10,19H,6,8H2
InChIKeyUMBKPGHGTMUGAE-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.82
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-6-yl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole

3-(2,3-dihydro-1-benzofuran-6-yl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole (PubChem CID 122193440) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-6-yl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-6-yl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole
PubChem CID122193440
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name3-(2,3-dihydro-1-benzofuran-6-yl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole
SMILESc1cc2cc(-c3nc(-c4ccc5c(c4)OCC5)no3)ccc2[nH]1
InChIInChI=1S/C18H13N3O2/c1-2-13(10-16-11(1)6-8-22-16)17-20-18(23-21-17)14-3-4-15-12(9-14)5-7-19-15/h1-5,7,9-10,19H,6,8H2
InChIKeyUMBKPGHGTMUGAE-UHFFFAOYSA-N
XLogP3.82
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-dihydro-1-benzofuran-6-yl)-5-(1H-indol-5-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 3-(2,3-dihydro-1-benzofuran-6-yl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-6-yl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole (CID 122193440) is 3-(2,3-dihydro-1-benzofuran-6-yl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-6-yl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-6-yl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole is c1cc2cc(-c3nc(-c4ccc5c(c4)OCC5)no3)ccc2[nH]1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-6-yl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole?
The InChIKey is UMBKPGHGTMUGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-2-13(10-16-11(1)6-8-22-16)17-20-18(23-21-17)14-3-4-15-12(9-14)5-7-19-15/h1-5,7,9-10,19H,6,8H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-6-yl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole?
3-(2,3-dihydro-1-benzofuran-6-yl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole has a molecular weight of 303.32 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-6-yl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 122193440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).