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

C16H12F2N2O2 — CID 135369029

IUPAC3-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(Cc2cccc(F)c2)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H12F2N2O2/c17-13-6-4-11(5-7-13)10-20-15(19-22-16(20)21)9-12-2-1-3-14(18)8-12/h1-8H,9-10H2
InChIKeyIOVBSUSHTDIMQQ-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.75
Rot. Bonds4

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

3-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 135369029) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID135369029
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name3-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(Cc2cccc(F)c2)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H12F2N2O2/c17-13-6-4-11(5-7-13)10-20-15(19-22-16(20)21)9-12-2-1-3-14(18)8-12/h1-8H,9-10H2
InChIKeyIOVBSUSHTDIMQQ-UHFFFAOYSA-N
XLogP2.75
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(3-fluorophenyl)methyl]-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-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (CID 135369029) is 3-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is O=c1onc(Cc2cccc(F)c2)n1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is IOVBSUSHTDIMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c17-13-6-4-11(5-7-13)10-20-15(19-22-16(20)21)9-12-2-1-3-14(18)8-12/h1-8H,9-10H2.
What are the key properties of 3-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
3-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 302.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135369029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).