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

C15H11FN2O2 — CID 48730004

IUPAC4-[(3-fluorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccc2)n1Cc1cccc(F)c1
InChIInChI=1S/C15H11FN2O2/c16-13-8-4-5-11(9-13)10-18-14(17-20-15(18)19)12-6-2-1-3-7-12/h1-9H,10H2
InChIKeyWGYRBWOHWUUPJR-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.69
Rot. Bonds3

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

4-[(3-fluorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-one (PubChem CID 48730004) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-one
PubChem CID48730004
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name4-[(3-fluorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccc2)n1Cc1cccc(F)c1
InChIInChI=1S/C15H11FN2O2/c16-13-8-4-5-11(9-13)10-18-14(17-20-15(18)19)12-6-2-1-3-7-12/h1-9H,10H2
InChIKeyWGYRBWOHWUUPJR-UHFFFAOYSA-N
XLogP2.69
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-one (CID 48730004) is 4-[(3-fluorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-one is O=c1onc(-c2ccccc2)n1Cc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The InChIKey is WGYRBWOHWUUPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-13-8-4-5-11(9-13)10-18-14(17-20-15(18)19)12-6-2-1-3-7-12/h1-9H,10H2.
What are the key properties of 4-[(3-fluorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-one?
4-[(3-fluorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-one has a molecular weight of 270.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 48730004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).