5-[3-fluoro-4-(4-fluorophenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

C15H10F2N2O2 — CID 137463394

IUPAC5-[3-fluoro-4-(4-fluorophenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2ccc(-c3ccc(F)cc3)c(F)c2)CO1
InChIInChI=1S/C15H10F2N2O2/c16-11-4-1-9(2-5-11)12-6-3-10(7-13(12)17)14-8-21-15(20)19-18-14/h1-7H,8H2,(H,19,20)
InChIKeyUGUKSHRHUHJCCM-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.08
Rot. Bonds2

About 5-[3-fluoro-4-(4-fluorophenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

5-[3-fluoro-4-(4-fluorophenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137463394) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 5-[3-fluoro-4-(4-fluorophenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-[3-fluoro-4-(4-fluorophenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137463394
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name5-[3-fluoro-4-(4-fluorophenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2ccc(-c3ccc(F)cc3)c(F)c2)CO1
InChIInChI=1S/C15H10F2N2O2/c16-11-4-1-9(2-5-11)12-6-3-10(7-13(12)17)14-8-21-15(20)19-18-14/h1-7H,8H2,(H,19,20)
InChIKeyUGUKSHRHUHJCCM-UHFFFAOYSA-N
XLogP3.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(4-fluorophenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-[3-fluoro-4-(4-fluorophenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137463394) is 5-[3-fluoro-4-(4-fluorophenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-[3-fluoro-4-(4-fluorophenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-[3-fluoro-4-(4-fluorophenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is O=C1NN=C(c2ccc(-c3ccc(F)cc3)c(F)c2)CO1.
What is the InChIKey of 5-[3-fluoro-4-(4-fluorophenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is UGUKSHRHUHJCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c16-11-4-1-9(2-5-11)12-6-3-10(7-13(12)17)14-8-21-15(20)19-18-14/h1-7H,8H2,(H,19,20).
What are the key properties of 5-[3-fluoro-4-(4-fluorophenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-[3-fluoro-4-(4-fluorophenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 288.25 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(4-fluorophenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137463394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).