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

C20H15N3O2 — CID 652865

IUPAC2-[4-(4-methoxyphenyl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3nnc(-c4ccncc4)o3)cc2)cc1
InChIInChI=1S/C20H15N3O2/c1-24-18-8-6-15(7-9-18)14-2-4-16(5-3-14)19-22-23-20(25-19)17-10-12-21-13-11-17/h2-13H,1H3
InChIKeyZDFBCELRDRTOHI-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.47
Rot. Bonds4

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

2-[4-(4-methoxyphenyl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 652865) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID652865
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-[4-(4-methoxyphenyl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3nnc(-c4ccncc4)o3)cc2)cc1
InChIInChI=1S/C20H15N3O2/c1-24-18-8-6-15(7-9-18)14-2-4-16(5-3-14)19-22-23-20(25-19)17-10-12-21-13-11-17/h2-13H,1H3
InChIKeyZDFBCELRDRTOHI-UHFFFAOYSA-N
XLogP4.47
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(4-methoxyphenyl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 652865) is 2-[4-(4-methoxyphenyl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(4-methoxyphenyl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole is COc1ccc(-c2ccc(-c3nnc(-c4ccncc4)o3)cc2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is ZDFBCELRDRTOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-24-18-8-6-15(7-9-18)14-2-4-16(5-3-14)19-22-23-20(25-19)17-10-12-21-13-11-17/h2-13H,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[4-(4-methoxyphenyl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 329.36 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 652865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).