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

C24H22N2O4 — CID 42851492

IUPAC3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(COc2ccc(-c3noc(-c4cccc(C)c4)n3)cc2OC)c1
InChIInChI=1S/C24H22N2O4/c1-16-6-4-8-19(12-16)24-25-23(26-30-24)18-10-11-21(22(14-18)28-3)29-15-17-7-5-9-20(13-17)27-2/h4-14H,15H2,1-3H3
InChIKeyYDODFIWLJJLLII-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.31
Rot. Bonds7

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

3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 42851492) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID42851492
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(COc2ccc(-c3noc(-c4cccc(C)c4)n3)cc2OC)c1
InChIInChI=1S/C24H22N2O4/c1-16-6-4-8-19(12-16)24-25-23(26-30-24)18-10-11-21(22(14-18)28-3)29-15-17-7-5-9-20(13-17)27-2/h4-14H,15H2,1-3H3
InChIKeyYDODFIWLJJLLII-UHFFFAOYSA-N
XLogP5.31
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 42851489
3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 83287388
5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 83287381
5-(4-fluorophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 83287470
3-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 83289458
5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole
CID 42851376
5-(5-chloro-2-phenylmethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8813218
3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole
CID 46044217
5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2742649
5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 174733244
5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 119103240
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole (CID 42851492) is 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole is COc1cccc(COc2ccc(-c3noc(-c4cccc(C)c4)n3)cc2OC)c1.
What is the InChIKey of 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is YDODFIWLJJLLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-16-6-4-8-19(12-16)24-25-23(26-30-24)18-10-11-21(22(14-18)28-3)29-15-17-7-5-9-20(13-17)27-2/h4-14H,15H2,1-3H3.
What are the key properties of 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole?
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 402.45 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42851492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).