2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole

C21H16N2O2 — CID 7680870

IUPAC2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc(COc3ccc(-c4nnco4)cc3)cc2)cc1
InChIInChI=1S/C21H16N2O2/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)14-24-20-12-10-19(11-13-20)21-23-22-15-25-21/h1-13,15H,14H2
InChIKeyABWOSBGKYGWGDN-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.98
Rot. Bonds5

About 2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole

2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole (PubChem CID 7680870) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
PubChem CID7680870
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc(COc3ccc(-c4nnco4)cc3)cc2)cc1
InChIInChI=1S/C21H16N2O2/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)14-24-20-12-10-19(11-13-20)21-23-22-15-25-21/h1-13,15H,14H2
InChIKeyABWOSBGKYGWGDN-UHFFFAOYSA-N
XLogP4.98
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole (CID 7680870) is 2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole is c1ccc(-c2ccc(COc3ccc(-c4nnco4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is ABWOSBGKYGWGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)14-24-20-12-10-19(11-13-20)21-23-22-15-25-21/h1-13,15H,14H2.
What are the key properties of 2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole?
2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 328.37 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 7680870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).