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

C17H15FN2O2 — CID 135368970

IUPAC3-[(4-fluorophenyl)methyl]-4-(1-phenylethyl)-1,2,4-oxadiazol-5-one
SMILESCC(c1ccccc1)n1c(Cc2ccc(F)cc2)noc1=O
InChIInChI=1S/C17H15FN2O2/c1-12(14-5-3-2-4-6-14)20-16(19-22-17(20)21)11-13-7-9-15(18)10-8-13/h2-10,12H,11H2,1H3
InChIKeyCERQLWMOBATGQE-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.18
Rot. Bonds4

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

3-[(4-fluorophenyl)methyl]-4-(1-phenylethyl)-1,2,4-oxadiazol-5-one (PubChem CID 135368970) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-4-(1-phenylethyl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-4-(1-phenylethyl)-1,2,4-oxadiazol-5-one
PubChem CID135368970
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-[(4-fluorophenyl)methyl]-4-(1-phenylethyl)-1,2,4-oxadiazol-5-one
SMILESCC(c1ccccc1)n1c(Cc2ccc(F)cc2)noc1=O
InChIInChI=1S/C17H15FN2O2/c1-12(14-5-3-2-4-6-14)20-16(19-22-17(20)21)11-13-7-9-15(18)10-8-13/h2-10,12H,11H2,1H3
InChIKeyCERQLWMOBATGQE-UHFFFAOYSA-N
XLogP3.18
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-4-(1-phenylethyl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-4-(1-phenylethyl)-1,2,4-oxadiazol-5-one (CID 135368970) is 3-[(4-fluorophenyl)methyl]-4-(1-phenylethyl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-4-(1-phenylethyl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-4-(1-phenylethyl)-1,2,4-oxadiazol-5-one is CC(c1ccccc1)n1c(Cc2ccc(F)cc2)noc1=O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-4-(1-phenylethyl)-1,2,4-oxadiazol-5-one?
The InChIKey is CERQLWMOBATGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-12(14-5-3-2-4-6-14)20-16(19-22-17(20)21)11-13-7-9-15(18)10-8-13/h2-10,12H,11H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-4-(1-phenylethyl)-1,2,4-oxadiazol-5-one?
3-[(4-fluorophenyl)methyl]-4-(1-phenylethyl)-1,2,4-oxadiazol-5-one has a molecular weight of 298.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-4-(1-phenylethyl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135368970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).