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

C23H20N2O4 — CID 652093

IUPAC2-(2,5-dimethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3nnc(-c4cc(OC)ccc4OC)o3)cc2)cc1
InChIInChI=1S/C23H20N2O4/c1-26-18-10-8-16(9-11-18)15-4-6-17(7-5-15)22-24-25-23(29-22)20-14-19(27-2)12-13-21(20)28-3/h4-14H,1-3H3
InChIKeyRAHPVBUEPPVRKE-UHFFFAOYSA-N
MW388.42 g/mol
LogP5.10
Rot. Bonds6

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

2-(2,5-dimethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole (PubChem CID 652093) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
PubChem CID652093
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name2-(2,5-dimethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3nnc(-c4cc(OC)ccc4OC)o3)cc2)cc1
InChIInChI=1S/C23H20N2O4/c1-26-18-10-8-16(9-11-18)15-4-6-17(7-5-15)22-24-25-23(29-22)20-14-19(27-2)12-13-21(20)28-3/h4-14H,1-3H3
InChIKeyRAHPVBUEPPVRKE-UHFFFAOYSA-N
XLogP5.10
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole (CID 652093) is 2-(2,5-dimethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole is COc1ccc(-c2ccc(-c3nnc(-c4cc(OC)ccc4OC)o3)cc2)cc1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is RAHPVBUEPPVRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-26-18-10-8-16(9-11-18)15-4-6-17(7-5-15)22-24-25-23(29-22)20-14-19(27-2)12-13-21(20)28-3/h4-14H,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole?
2-(2,5-dimethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 388.42 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 652093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).