2-(4-fluorophenyl)-4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine

C15H13FN2O — CID 175749845

IUPAC2-(4-fluorophenyl)-4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine
SMILESFc1ccc(C2NC(c3ccccc3)=NCO2)cc1
InChIInChI=1S/C15H13FN2O/c16-13-8-6-12(7-9-13)15-18-14(17-10-19-15)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,17,18)
InChIKeyBDRVIYUHPQJPHD-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.85
Rot. Bonds2

About 2-(4-fluorophenyl)-4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine

2-(4-fluorophenyl)-4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine (PubChem CID 175749845) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine
PubChem CID175749845
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-(4-fluorophenyl)-4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine
SMILESFc1ccc(C2NC(c3ccccc3)=NCO2)cc1
InChIInChI=1S/C15H13FN2O/c16-13-8-6-12(7-9-13)15-18-14(17-10-19-15)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,17,18)
InChIKeyBDRVIYUHPQJPHD-UHFFFAOYSA-N
XLogP2.85
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine?
The IUPAC name of 2-(4-fluorophenyl)-4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine (CID 175749845) is 2-(4-fluorophenyl)-4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine?
The canonical SMILES for 2-(4-fluorophenyl)-4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine is Fc1ccc(C2NC(c3ccccc3)=NCO2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine?
The InChIKey is BDRVIYUHPQJPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-13-8-6-12(7-9-13)15-18-14(17-10-19-15)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)-4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine?
2-(4-fluorophenyl)-4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine has a molecular weight of 256.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine is sourced from PubChem (CID 175749845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).