3,4-bis(4-methoxyphenyl)-1,2,5-oxadiazole

C16H14N2O3 — CID 11335037

IUPAC3,4-bis(4-methoxyphenyl)-1,2,5-oxadiazole
SMILESCOc1ccc(-c2nonc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H14N2O3/c1-19-13-7-3-11(4-8-13)15-16(18-21-17-15)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
InChIKeyGLGBZVUSHBPCMJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.42
Rot. Bonds4

About 3,4-bis(4-methoxyphenyl)-1,2,5-oxadiazole

3,4-bis(4-methoxyphenyl)-1,2,5-oxadiazole (PubChem CID 11335037) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3,4-bis(4-methoxyphenyl)-1,2,5-oxadiazole.

Molecular Properties

Compound Name3,4-bis(4-methoxyphenyl)-1,2,5-oxadiazole
PubChem CID11335037
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3,4-bis(4-methoxyphenyl)-1,2,5-oxadiazole
SMILESCOc1ccc(-c2nonc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H14N2O3/c1-19-13-7-3-11(4-8-13)15-16(18-21-17-15)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
InChIKeyGLGBZVUSHBPCMJ-UHFFFAOYSA-N
XLogP3.42
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-methoxyphenyl)-1,2,5-oxadiazole?
The IUPAC name of 3,4-bis(4-methoxyphenyl)-1,2,5-oxadiazole (CID 11335037) is 3,4-bis(4-methoxyphenyl)-1,2,5-oxadiazole.
What is the SMILES notation for 3,4-bis(4-methoxyphenyl)-1,2,5-oxadiazole?
The canonical SMILES for 3,4-bis(4-methoxyphenyl)-1,2,5-oxadiazole is COc1ccc(-c2nonc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3,4-bis(4-methoxyphenyl)-1,2,5-oxadiazole?
The InChIKey is GLGBZVUSHBPCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-19-13-7-3-11(4-8-13)15-16(18-21-17-15)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3.
What are the key properties of 3,4-bis(4-methoxyphenyl)-1,2,5-oxadiazole?
3,4-bis(4-methoxyphenyl)-1,2,5-oxadiazole has a molecular weight of 282.30 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-methoxyphenyl)-1,2,5-oxadiazole is sourced from PubChem (CID 11335037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).