2-benzyl-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole

C16H13FN2O — CID 6618826

IUPAC2-benzyl-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
SMILESFc1ccc(Cc2nnc(Cc3ccccc3)o2)cc1
InChIInChI=1S/C16H13FN2O/c17-14-8-6-13(7-9-14)11-16-19-18-15(20-16)10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyMUHBZZAPBQPHGM-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.39
Rot. Bonds4

About 2-benzyl-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole

2-benzyl-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole (PubChem CID 6618826) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-benzyl-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
PubChem CID6618826
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name2-benzyl-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
SMILESFc1ccc(Cc2nnc(Cc3ccccc3)o2)cc1
InChIInChI=1S/C16H13FN2O/c17-14-8-6-13(7-9-14)11-16-19-18-15(20-16)10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyMUHBZZAPBQPHGM-UHFFFAOYSA-N
XLogP3.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole (CID 6618826) is 2-benzyl-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole is Fc1ccc(Cc2nnc(Cc3ccccc3)o2)cc1.
What is the InChIKey of 2-benzyl-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is MUHBZZAPBQPHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-14-8-6-13(7-9-14)11-16-19-18-15(20-16)10-12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 2-benzyl-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
2-benzyl-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 268.29 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 6618826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).