(5S)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one

C16H12FNO2 — CID 154714117

IUPAC(5S)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one
SMILESO=C1OC(c2ccccc2)=NC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C16H12FNO2/c17-13-8-6-11(7-9-13)14-10-18-15(20-16(14)19)12-4-2-1-3-5-12/h1-9,14H,10H2/t14-/m1/s1
InChIKeyFSRJJMZVJQXQEH-CQSZACIVSA-N
MW269.28 g/mol
LogP2.91
Rot. Bonds2

About (5S)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one

(5S)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one (PubChem CID 154714117) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is (5S)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one.

Molecular Properties

Compound Name(5S)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one
PubChem CID154714117
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name(5S)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one
SMILESO=C1OC(c2ccccc2)=NC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C16H12FNO2/c17-13-8-6-11(7-9-13)14-10-18-15(20-16(14)19)12-4-2-1-3-5-12/h1-9,14H,10H2/t14-/m1/s1
InChIKeyFSRJJMZVJQXQEH-CQSZACIVSA-N
XLogP2.91
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
The IUPAC name of (5S)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one (CID 154714117) is (5S)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one.
What is the SMILES notation for (5S)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
The canonical SMILES for (5S)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one is O=C1OC(c2ccccc2)=NC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (5S)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
The InChIKey is FSRJJMZVJQXQEH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-13-8-6-11(7-9-13)14-10-18-15(20-16(14)19)12-4-2-1-3-5-12/h1-9,14H,10H2/t14-/m1/s1.
What are the key properties of (5S)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
(5S)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one has a molecular weight of 269.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one is sourced from PubChem (CID 154714117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).