3-(1H-indol-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

C20H19N3O4 — CID 155520593

IUPAC3-(1H-indol-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2nc(Cc3c[nH]c4ccccc34)no2)cc(OC)c1OC
InChIInChI=1S/C20H19N3O4/c1-24-16-8-12(9-17(25-2)19(16)26-3)20-22-18(23-27-20)10-13-11-21-15-7-5-4-6-14(13)15/h4-9,11,21H,10H2,1-3H3
InChIKeyGJOBPZRRLHPSJD-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.83
Rot. Bonds6

About 3-(1H-indol-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

3-(1H-indol-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 155520593) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-(1H-indol-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-indol-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID155520593
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name3-(1H-indol-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2nc(Cc3c[nH]c4ccccc34)no2)cc(OC)c1OC
InChIInChI=1S/C20H19N3O4/c1-24-16-8-12(9-17(25-2)19(16)26-3)20-22-18(23-27-20)10-13-11-21-15-7-5-4-6-14(13)15/h4-9,11,21H,10H2,1-3H3
InChIKeyGJOBPZRRLHPSJD-UHFFFAOYSA-N
XLogP3.83
TPSA82.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1H-indol-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-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-(1H-indol-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-indol-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (CID 155520593) is 3-(1H-indol-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-indol-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-indol-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is COc1cc(-c2nc(Cc3c[nH]c4ccccc34)no2)cc(OC)c1OC.
What is the InChIKey of 3-(1H-indol-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is GJOBPZRRLHPSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-24-16-8-12(9-17(25-2)19(16)26-3)20-22-18(23-27-20)10-13-11-21-15-7-5-4-6-14(13)15/h4-9,11,21H,10H2,1-3H3.
What are the key properties of 3-(1H-indol-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
3-(1H-indol-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 365.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 155520593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).