2-(1-methylindol-3-yl)-5-[2-(oxan-4-yloxymethyl)phenyl]-1,3,4-oxadiazole

C23H23N3O3 — CID 166210369

IUPAC2-(1-methylindol-3-yl)-5-[2-(oxan-4-yloxymethyl)phenyl]-1,3,4-oxadiazole
SMILESCn1cc(-c2nnc(-c3ccccc3COC3CCOCC3)o2)c2ccccc21
InChIInChI=1S/C23H23N3O3/c1-26-14-20(19-8-4-5-9-21(19)26)23-25-24-22(29-23)18-7-3-2-6-16(18)15-28-17-10-12-27-13-11-17/h2-9,14,17H,10-13,15H2,1H3
InChIKeyZHIYJMMHJUDFMD-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.59
Rot. Bonds5

About 2-(1-methylindol-3-yl)-5-[2-(oxan-4-yloxymethyl)phenyl]-1,3,4-oxadiazole

2-(1-methylindol-3-yl)-5-[2-(oxan-4-yloxymethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 166210369) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-5-[2-(oxan-4-yloxymethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-5-[2-(oxan-4-yloxymethyl)phenyl]-1,3,4-oxadiazole
PubChem CID166210369
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-(1-methylindol-3-yl)-5-[2-(oxan-4-yloxymethyl)phenyl]-1,3,4-oxadiazole
SMILESCn1cc(-c2nnc(-c3ccccc3COC3CCOCC3)o2)c2ccccc21
InChIInChI=1S/C23H23N3O3/c1-26-14-20(19-8-4-5-9-21(19)26)23-25-24-22(29-23)18-7-3-2-6-16(18)15-28-17-10-12-27-13-11-17/h2-9,14,17H,10-13,15H2,1H3
InChIKeyZHIYJMMHJUDFMD-UHFFFAOYSA-N
XLogP4.59
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1-methylindol-3-yl)-5-[2-(oxan-4-yloxymethyl)phenyl]-1,3,4-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 2-(1-methylindol-3-yl)-5-[2-(oxan-4-yloxymethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1-methylindol-3-yl)-5-[2-(oxan-4-yloxymethyl)phenyl]-1,3,4-oxadiazole (CID 166210369) is 2-(1-methylindol-3-yl)-5-[2-(oxan-4-yloxymethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-methylindol-3-yl)-5-[2-(oxan-4-yloxymethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-methylindol-3-yl)-5-[2-(oxan-4-yloxymethyl)phenyl]-1,3,4-oxadiazole is Cn1cc(-c2nnc(-c3ccccc3COC3CCOCC3)o2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-5-[2-(oxan-4-yloxymethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is ZHIYJMMHJUDFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-26-14-20(19-8-4-5-9-21(19)26)23-25-24-22(29-23)18-7-3-2-6-16(18)15-28-17-10-12-27-13-11-17/h2-9,14,17H,10-13,15H2,1H3.
What are the key properties of 2-(1-methylindol-3-yl)-5-[2-(oxan-4-yloxymethyl)phenyl]-1,3,4-oxadiazole?
2-(1-methylindol-3-yl)-5-[2-(oxan-4-yloxymethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 389.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-5-[2-(oxan-4-yloxymethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 166210369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).