methyl 4-[5-[1-(2,6-dimethylphenyl)-5-methylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-methoxybenzoate

C23H22N4O4 — CID 118256443

IUPACmethyl 4-[5-[1-(2,6-dimethylphenyl)-5-methylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(-c2noc(-c3ncn(-c4c(C)cccc4C)c3C)n2)cc1OC
InChIInChI=1S/C23H22N4O4/c1-13-7-6-8-14(2)20(13)27-12-24-19(15(27)3)22-25-21(26-31-22)16-9-10-17(23(28)30-5)18(11-16)29-4/h6-12H,1-5H3
InChIKeyXHEMBNCVDGLXIK-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.31
Rot. Bonds5

About methyl 4-[5-[1-(2,6-dimethylphenyl)-5-methylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-methoxybenzoate

methyl 4-[5-[1-(2,6-dimethylphenyl)-5-methylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-methoxybenzoate (PubChem CID 118256443) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is methyl 4-[5-[1-(2,6-dimethylphenyl)-5-methylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[5-[1-(2,6-dimethylphenyl)-5-methylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-methoxybenzoate
PubChem CID118256443
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Namemethyl 4-[5-[1-(2,6-dimethylphenyl)-5-methylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(-c2noc(-c3ncn(-c4c(C)cccc4C)c3C)n2)cc1OC
InChIInChI=1S/C23H22N4O4/c1-13-7-6-8-14(2)20(13)27-12-24-19(15(27)3)22-25-21(26-31-22)16-9-10-17(23(28)30-5)18(11-16)29-4/h6-12H,1-5H3
InChIKeyXHEMBNCVDGLXIK-UHFFFAOYSA-N
XLogP4.31
TPSA92.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4-[5-[1-(2,6-dimethylphenyl)-5-methylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-methoxybenzoate 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

methyl 4-[5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-methylbenzoate
CID 118256393
methyl 2-methoxy-4-(1-methylbenzimidazol-4-yl)benzoate
CID 70813427
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
4-[5-[1-(2,6-dimethylphenyl)-2,5-dimethylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methoxybenzoic acid
CID 118256405
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
N-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267215
methyl 2-chloro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 66678050
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 2016311
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide
CID 3159477
3-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 83289458
methyl 3-methoxy-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 25255773
methyl 4-[5-(5,6-dichloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoate
CID 86645653

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[1-(2,6-dimethylphenyl)-5-methylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-methoxybenzoate?
The IUPAC name of methyl 4-[5-[1-(2,6-dimethylphenyl)-5-methylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-methoxybenzoate (CID 118256443) is methyl 4-[5-[1-(2,6-dimethylphenyl)-5-methylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-methoxybenzoate.
What is the SMILES notation for methyl 4-[5-[1-(2,6-dimethylphenyl)-5-methylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-methoxybenzoate?
The canonical SMILES for methyl 4-[5-[1-(2,6-dimethylphenyl)-5-methylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-methoxybenzoate is COC(=O)c1ccc(-c2noc(-c3ncn(-c4c(C)cccc4C)c3C)n2)cc1OC.
What is the InChIKey of methyl 4-[5-[1-(2,6-dimethylphenyl)-5-methylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-methoxybenzoate?
The InChIKey is XHEMBNCVDGLXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-13-7-6-8-14(2)20(13)27-12-24-19(15(27)3)22-25-21(26-31-22)16-9-10-17(23(28)30-5)18(11-16)29-4/h6-12H,1-5H3.
What are the key properties of methyl 4-[5-[1-(2,6-dimethylphenyl)-5-methylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-methoxybenzoate?
methyl 4-[5-[1-(2,6-dimethylphenyl)-5-methylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-methoxybenzoate has a molecular weight of 418.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[1-(2,6-dimethylphenyl)-5-methylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-methoxybenzoate is sourced from PubChem (CID 118256443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).