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

C16H13FN2O2 — CID 135368975

IUPAC3-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(Cc2ccccc2)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H13FN2O2/c17-14-8-6-13(7-9-14)11-19-15(18-21-16(19)20)10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyBDVWZKJSFSXCIS-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.61
Rot. Bonds4

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

3-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 135368975) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID135368975
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name3-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(Cc2ccccc2)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H13FN2O2/c17-14-8-6-13(7-9-14)11-19-15(18-21-16(19)20)10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyBDVWZKJSFSXCIS-UHFFFAOYSA-N
XLogP2.61
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (CID 135368975) is 3-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is O=c1onc(Cc2ccccc2)n1Cc1ccc(F)cc1.
What is the InChIKey of 3-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is BDVWZKJSFSXCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-14-8-6-13(7-9-14)11-19-15(18-21-16(19)20)10-12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 3-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
3-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 284.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135368975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).