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

C23H20N2O3 — CID 25256566

IUPAC5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2ccc(-c3ccccc3C)c(OC)c2)n1
InChIInChI=1S/C23H20N2O3/c1-15-8-4-5-9-17(15)18-13-12-16(14-21(18)27-3)23-24-22(25-28-23)19-10-6-7-11-20(19)26-2/h4-14H,1-3H3
InChIKeyPGFHDHNHNCBRHS-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.40
Rot. Bonds5

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

5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 25256566) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID25256566
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2ccc(-c3ccccc3C)c(OC)c2)n1
InChIInChI=1S/C23H20N2O3/c1-15-8-4-5-9-17(15)18-13-12-16(14-21(18)27-3)23-24-22(25-28-23)19-10-6-7-11-20(19)26-2/h4-14H,1-3H3
InChIKeyPGFHDHNHNCBRHS-UHFFFAOYSA-N
XLogP5.40
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 59606535
3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 25256391
3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole
CID 25256287
5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 25256657
5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
methyl 3-methoxy-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 25255773
5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811619
5-[4-(2,4-dimethoxyphenyl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 159570141
5-[4-(2,4-dimethoxyphenyl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(2-methoxyphenyl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 157069040
3-(2-methoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527966
3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 154747111

Frequently Asked Questions

What is the IUPAC name of 5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 25256566) is 5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1noc(-c2ccc(-c3ccccc3C)c(OC)c2)n1.
What is the InChIKey of 5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is PGFHDHNHNCBRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-15-8-4-5-9-17(15)18-13-12-16(14-21(18)27-3)23-24-22(25-28-23)19-10-6-7-11-20(19)26-2/h4-14H,1-3H3.
What are the key properties of 5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 372.42 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 25256566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).