2-(3,4-dimethoxyphenyl)-6-methyl-5-pyridin-3-ylimidazo[2,1-b][1,3,4]oxadiazole

C18H16N4O3 — CID 67475037

IUPAC2-(3,4-dimethoxyphenyl)-6-methyl-5-pyridin-3-ylimidazo[2,1-b][1,3,4]oxadiazole
SMILESCOc1ccc(-c2nn3c(-c4cccnc4)c(C)nc3o2)cc1OC
InChIInChI=1S/C18H16N4O3/c1-11-16(13-5-4-8-19-10-13)22-18(20-11)25-17(21-22)12-6-7-14(23-2)15(9-12)24-3/h4-10H,1-3H3
InChIKeyKLWCVZQGGGRIGQ-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.38
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-6-methyl-5-pyridin-3-ylimidazo[2,1-b][1,3,4]oxadiazole

2-(3,4-dimethoxyphenyl)-6-methyl-5-pyridin-3-ylimidazo[2,1-b][1,3,4]oxadiazole (PubChem CID 67475037) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-methyl-5-pyridin-3-ylimidazo[2,1-b][1,3,4]oxadiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-methyl-5-pyridin-3-ylimidazo[2,1-b][1,3,4]oxadiazole
PubChem CID67475037
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name2-(3,4-dimethoxyphenyl)-6-methyl-5-pyridin-3-ylimidazo[2,1-b][1,3,4]oxadiazole
SMILESCOc1ccc(-c2nn3c(-c4cccnc4)c(C)nc3o2)cc1OC
InChIInChI=1S/C18H16N4O3/c1-11-16(13-5-4-8-19-10-13)22-18(20-11)25-17(21-22)12-6-7-14(23-2)15(9-12)24-3/h4-10H,1-3H3
InChIKeyKLWCVZQGGGRIGQ-UHFFFAOYSA-N
XLogP3.38
TPSA74.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(3,4-dimethoxyphenyl)-6-methyl-5-pyridin-3-ylimidazo[2,1-b][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-(3,4-dimethoxyphenyl)-6-methyl-5-pyridin-3-ylimidazo[2,1-b][1,3,4]oxadiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-methyl-5-pyridin-3-ylimidazo[2,1-b][1,3,4]oxadiazole (CID 67475037) is 2-(3,4-dimethoxyphenyl)-6-methyl-5-pyridin-3-ylimidazo[2,1-b][1,3,4]oxadiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-methyl-5-pyridin-3-ylimidazo[2,1-b][1,3,4]oxadiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-methyl-5-pyridin-3-ylimidazo[2,1-b][1,3,4]oxadiazole is COc1ccc(-c2nn3c(-c4cccnc4)c(C)nc3o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-methyl-5-pyridin-3-ylimidazo[2,1-b][1,3,4]oxadiazole?
The InChIKey is KLWCVZQGGGRIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-11-16(13-5-4-8-19-10-13)22-18(20-11)25-17(21-22)12-6-7-14(23-2)15(9-12)24-3/h4-10H,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-methyl-5-pyridin-3-ylimidazo[2,1-b][1,3,4]oxadiazole?
2-(3,4-dimethoxyphenyl)-6-methyl-5-pyridin-3-ylimidazo[2,1-b][1,3,4]oxadiazole has a molecular weight of 336.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-methyl-5-pyridin-3-ylimidazo[2,1-b][1,3,4]oxadiazole is sourced from PubChem (CID 67475037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).