5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

C21H21N5O5 — CID 16804761

IUPAC5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-n2nnc(-c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)c2C)c1
InChIInChI=1S/C21H21N5O5/c1-12-18(23-25-26(12)14-7-6-8-15(11-14)27-2)21-22-20(24-31-21)13-9-16(28-3)19(30-5)17(10-13)29-4/h6-11H,1-5H3
InChIKeyXVCKFNUJOMGVLY-UHFFFAOYSA-N
MW423.43 g/mol
LogP3.33
Rot. Bonds7

About 5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 16804761) has the molecular formula C21H21N5O5 and a molecular weight of 423.43 g/mol. Its IUPAC name is 5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID16804761
Molecular FormulaC21H21N5O5
Molecular Weight423.43 g/mol
Exact Mass423.15
IUPAC Name5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-n2nnc(-c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)c2C)c1
InChIInChI=1S/C21H21N5O5/c1-12-18(23-25-26(12)14-7-6-8-15(11-14)27-2)21-22-20(24-31-21)13-9-16(28-3)19(30-5)17(10-13)29-4/h6-11H,1-5H3
InChIKeyXVCKFNUJOMGVLY-UHFFFAOYSA-N
XLogP3.33
TPSA106.55 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(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

Related Compounds

5-[1-(3-ethylphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 20938065
5-[1-(4-bromophenyl)-5-methyltriazol-4-yl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 18592225
3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
CID 17015661
5-(2-methoxyphenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
CID 53170080
5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 4544688
1-(3-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine
CID 25268940
5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole
CID 53170093
5-[1-(3-chloro-4-methoxyphenyl)-5-methyltriazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 8721572
5-[1-(2-bromophenyl)-2,5-dimethylimidazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 118256420
5-[1-(4-bromophenyl)-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 20937913
2-(4-methoxyphenyl)-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]isoquinolin-1-one
CID 45499945
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxyphenyl)phthalazin-1-one
CID 53082918

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (CID 16804761) is 5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is COc1cccc(-n2nnc(-c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)c2C)c1.
What is the InChIKey of 5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is XVCKFNUJOMGVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O5/c1-12-18(23-25-26(12)14-7-6-8-15(11-14)27-2)21-22-20(24-31-21)13-9-16(28-3)19(30-5)17(10-13)29-4/h6-11H,1-5H3.
What are the key properties of 5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 423.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 16804761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).