[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate

C20H18N4O5 — CID 39813849

IUPAC[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOc1ccc(-c2noc(COC(=O)c3cn4c(C)cccc4n3)n2)cc1OC
InChIInChI=1S/C20H18N4O5/c1-12-5-4-6-17-21-14(10-24(12)17)20(25)28-11-18-22-19(23-29-18)13-7-8-15(26-2)16(9-13)27-3/h4-10H,11H2,1-3H3
InChIKeyXVHSNZDHTWQMTN-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.07
Rot. Bonds6

About [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate

[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 39813849) has the molecular formula C20H18N4O5 and a molecular weight of 394.39 g/mol. Its IUPAC name is [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID39813849
Molecular FormulaC20H18N4O5
Molecular Weight394.39 g/mol
Exact Mass394.13
IUPAC Name[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOc1ccc(-c2noc(COC(=O)c3cn4c(C)cccc4n3)n2)cc1OC
InChIInChI=1S/C20H18N4O5/c1-12-5-4-6-17-21-14(10-24(12)17)20(25)28-11-18-22-19(23-29-18)13-7-8-15(26-2)16(9-13)27-3/h4-10H,11H2,1-3H3
InChIKeyXVHSNZDHTWQMTN-UHFFFAOYSA-N
XLogP3.07
TPSA100.98 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3,4-dimethoxybenzoate
CID 40747862
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-bromobenzoate
CID 29170471
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1H-indole-2-carboxylate
CID 9485299
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 167813497
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678802
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2,6-dimethoxybenzoate
CID 8513481
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-(2-fluorophenyl)furan-2-carboxylate
CID 46812992
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-ethoxy-3-methoxybenzoate
CID 16516071
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-oxo-1-pyridinyl)acetate
CID 9458063
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-fluorophenyl)methoxy]benzoate
CID 29362114
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-bromophenyl)acetate
CID 29356006
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(1,3-dithian-2-yl)benzoate
CID 32877640

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 39813849) is [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate is COc1ccc(-c2noc(COC(=O)c3cn4c(C)cccc4n3)n2)cc1OC.
What is the InChIKey of [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is XVHSNZDHTWQMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5/c1-12-5-4-6-17-21-14(10-24(12)17)20(25)28-11-18-22-19(23-29-18)13-7-8-15(26-2)16(9-13)27-3/h4-10H,11H2,1-3H3.
What are the key properties of [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 394.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 39813849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).