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

C16H14N2O3 — CID 869229

IUPAC2-(3,4-dimethoxyphenyl)-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccccc3)o2)cc1OC
InChIInChI=1S/C16H14N2O3/c1-19-13-9-8-12(10-14(13)20-2)16-18-17-15(21-16)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyZCDXWESXJDOOTP-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.42
Rot. Bonds4

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

2-(3,4-dimethoxyphenyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 869229) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID869229
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-(3,4-dimethoxyphenyl)-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccccc3)o2)cc1OC
InChIInChI=1S/C16H14N2O3/c1-19-13-9-8-12(10-14(13)20-2)16-18-17-15(21-16)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyZCDXWESXJDOOTP-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 2-(3,4-dimethoxyphenyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-phenyl-1,3,4-oxadiazole (CID 869229) is 2-(3,4-dimethoxyphenyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-phenyl-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3ccccc3)o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is ZCDXWESXJDOOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-19-13-9-8-12(10-14(13)20-2)16-18-17-15(21-16)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-phenyl-1,3,4-oxadiazole?
2-(3,4-dimethoxyphenyl)-5-phenyl-1,3,4-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 2-(3,4-dimethoxyphenyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 869229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).