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

C15H11FN2O2 — CID 2740991

IUPAC2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole
SMILESFc1ccc(COc2ccc(-c3nnco3)cc2)cc1
InChIInChI=1S/C15H11FN2O2/c16-13-5-1-11(2-6-13)9-19-14-7-3-12(4-8-14)15-18-17-10-20-15/h1-8,10H,9H2
InChIKeyAHRQHVUNXUABDL-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.45
Rot. Bonds4

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

2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole (PubChem CID 2740991) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole
PubChem CID2740991
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole
SMILESFc1ccc(COc2ccc(-c3nnco3)cc2)cc1
InChIInChI=1S/C15H11FN2O2/c16-13-5-1-11(2-6-13)9-19-14-7-3-12(4-8-14)15-18-17-10-20-15/h1-8,10H,9H2
InChIKeyAHRQHVUNXUABDL-UHFFFAOYSA-N
XLogP3.45
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole (CID 2740991) is 2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole is Fc1ccc(COc2ccc(-c3nnco3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is AHRQHVUNXUABDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-13-5-1-11(2-6-13)9-19-14-7-3-12(4-8-14)15-18-17-10-20-15/h1-8,10H,9H2.
What are the key properties of 2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole?
2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 270.26 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2740991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).