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

C21H18N2O4S — CID 42851489

IUPAC3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1cccc(COc2ccc(-c3noc(-c4cccs4)n3)cc2OC)c1
InChIInChI=1S/C21H18N2O4S/c1-24-16-6-3-5-14(11-16)13-26-17-9-8-15(12-18(17)25-2)20-22-21(27-23-20)19-7-4-10-28-19/h3-12H,13H2,1-2H3
InChIKeyZLQFJTKISXKMAU-UHFFFAOYSA-N
MW394.45 g/mol
LogP5.06
Rot. Bonds7

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

3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 42851489) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID42851489
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC Name3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1cccc(COc2ccc(-c3noc(-c4cccs4)n3)cc2OC)c1
InChIInChI=1S/C21H18N2O4S/c1-24-16-6-3-5-14(11-16)13-26-17-9-8-15(12-18(17)25-2)20-22-21(27-23-20)19-7-4-10-28-19/h3-12H,13H2,1-2H3
InChIKeyZLQFJTKISXKMAU-UHFFFAOYSA-N
XLogP5.06
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.45
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 42851492
3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 83287388
3-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 83289458
1-(2,5-dimethoxyphenyl)-3-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 53209928
5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334480
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
5-[3-[(2,4-difluorophenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334502
5-(5-chloro-2-phenylmethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8813218
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-methoxy-4-phenylmethoxybenzoate
CID 55356009
5-(4-fluorophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 83287470
3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole
CID 46044217
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole (CID 42851489) is 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole is COc1cccc(COc2ccc(-c3noc(-c4cccs4)n3)cc2OC)c1.
What is the InChIKey of 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is ZLQFJTKISXKMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-24-16-6-3-5-14(11-16)13-26-17-9-8-15(12-18(17)25-2)20-22-21(27-23-20)19-7-4-10-28-19/h3-12H,13H2,1-2H3.
What are the key properties of 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 394.45 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 42851489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).