3-(3,5-dimethoxyphenyl)-5-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazole

C25H24N6O5 — CID 50838040

IUPAC3-(3,5-dimethoxyphenyl)-5-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2noc(-c3nnn(Cc4nc(-c5ccccc5OC)oc4C)c3C)n2)c1
InChIInChI=1S/C25H24N6O5/c1-14-22(25-27-23(29-36-25)16-10-17(32-3)12-18(11-16)33-4)28-30-31(14)13-20-15(2)35-24(26-20)19-8-6-7-9-21(19)34-5/h6-12H,13H2,1-5H3
InChIKeyOJBFFGOXIKRAEA-UHFFFAOYSA-N
MW488.50 g/mol
LogP4.34
Rot. Bonds8

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

3-(3,5-dimethoxyphenyl)-5-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazole (PubChem CID 50838040) has the molecular formula C25H24N6O5 and a molecular weight of 488.50 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-5-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-5-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazole
PubChem CID50838040
Molecular FormulaC25H24N6O5
Molecular Weight488.50 g/mol
Exact Mass488.18
IUPAC Name3-(3,5-dimethoxyphenyl)-5-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2noc(-c3nnn(Cc4nc(-c5ccccc5OC)oc4C)c3C)n2)c1
InChIInChI=1S/C25H24N6O5/c1-14-22(25-27-23(29-36-25)16-10-17(32-3)12-18(11-16)33-4)28-30-31(14)13-20-15(2)35-24(26-20)19-8-6-7-9-21(19)34-5/h6-12H,13H2,1-5H3
InChIKeyOJBFFGOXIKRAEA-UHFFFAOYSA-N
XLogP4.34
TPSA123.35 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.50
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-(3,5-dimethoxyphenyl)-5-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole
CID 50838051
5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 50838187
5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 50838067
5-(2-methoxyphenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
CID 53170080
1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 42585449
2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 46344229
5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 16804761
6-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(3-methoxyphenyl)-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 46291330
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 53089055
1-[[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 15988596
2-(2-methoxyphenyl)-4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53053460

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-5-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-5-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazole (CID 50838040) is 3-(3,5-dimethoxyphenyl)-5-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-5-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-5-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazole is COc1cc(OC)cc(-c2noc(-c3nnn(Cc4nc(-c5ccccc5OC)oc4C)c3C)n2)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-5-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is OJBFFGOXIKRAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O5/c1-14-22(25-27-23(29-36-25)16-10-17(32-3)12-18(11-16)33-4)28-30-31(14)13-20-15(2)35-24(26-20)19-8-6-7-9-21(19)34-5/h6-12H,13H2,1-5H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-5-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazole?
3-(3,5-dimethoxyphenyl)-5-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 488.50 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-5-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 50838040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).