3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole

C25H24N2O4 — CID 83287388

IUPAC3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccc(OCc4ccc(C)c(C)c4)c(OC)c3)no2)cc1
InChIInChI=1S/C25H24N2O4/c1-16-5-6-18(13-17(16)2)15-30-22-12-9-20(14-23(22)29-4)24-26-25(31-27-24)19-7-10-21(28-3)11-8-19/h5-14H,15H2,1-4H3
InChIKeyLCPFRIXMISXDIT-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.62
Rot. Bonds7

About 3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole

3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 83287388) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID83287388
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccc(OCc4ccc(C)c(C)c4)c(OC)c3)no2)cc1
InChIInChI=1S/C25H24N2O4/c1-16-5-6-18(13-17(16)2)15-30-22-12-9-20(14-23(22)29-4)24-26-25(31-27-24)19-7-10-21(28-3)11-8-19/h5-14H,15H2,1-4H3
InChIKeyLCPFRIXMISXDIT-UHFFFAOYSA-N
XLogP5.62
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(4-fluorophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 83287470
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 42851492
3-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 83289458
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 42851489
3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 42851473
5-(4-methoxyphenyl)-3-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazole
CID 78878564
3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole
CID 46044217
3-(4-butoxyphenyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 2054878
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
3-[(2,4-dimethylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78878790
5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 83287381
3-methoxy-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 31434194

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 83287388) is 3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3ccc(OCc4ccc(C)c(C)c4)c(OC)c3)no2)cc1.
What is the InChIKey of 3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is LCPFRIXMISXDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-16-5-6-18(13-17(16)2)15-30-22-12-9-20(14-23(22)29-4)24-26-25(31-27-24)19-7-10-21(28-3)11-8-19/h5-14H,15H2,1-4H3.
What are the key properties of 3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 416.48 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 83287388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).