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

C22H16FNO2Se — CID 122212577

IUPAC(4S)-6-(4-fluorophenyl)-4-phenyl-5-phenylselanyl-3,4-dihydro-1,3-oxazin-2-one
SMILESO=C1N[C@@H](c2ccccc2)C([Se]c2ccccc2)=C(c2ccc(F)cc2)O1
InChIInChI=1S/C22H16FNO2Se/c23-17-13-11-16(12-14-17)20-21(27-18-9-5-2-6-10-18)19(24-22(25)26-20)15-7-3-1-4-8-15/h1-14,19H,(H,24,25)/t19-/m0/s1
InChIKeyUANVRVKFLLQOJE-IBGZPJMESA-N
MW424.33 g/mol
LogP4.01
Rot. Bonds4

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

(4S)-6-(4-fluorophenyl)-4-phenyl-5-phenylselanyl-3,4-dihydro-1,3-oxazin-2-one (PubChem CID 122212577) has the molecular formula C22H16FNO2Se and a molecular weight of 424.33 g/mol. Its IUPAC name is (4S)-6-(4-fluorophenyl)-4-phenyl-5-phenylselanyl-3,4-dihydro-1,3-oxazin-2-one.

Molecular Properties

Compound Name(4S)-6-(4-fluorophenyl)-4-phenyl-5-phenylselanyl-3,4-dihydro-1,3-oxazin-2-one
PubChem CID122212577
Molecular FormulaC22H16FNO2Se
Molecular Weight424.33 g/mol
Exact Mass425.03
IUPAC Name(4S)-6-(4-fluorophenyl)-4-phenyl-5-phenylselanyl-3,4-dihydro-1,3-oxazin-2-one
SMILESO=C1N[C@@H](c2ccccc2)C([Se]c2ccccc2)=C(c2ccc(F)cc2)O1
InChIInChI=1S/C22H16FNO2Se/c23-17-13-11-16(12-14-17)20-21(27-18-9-5-2-6-10-18)19(24-22(25)26-20)15-7-3-1-4-8-15/h1-14,19H,(H,24,25)/t19-/m0/s1
InChIKeyUANVRVKFLLQOJE-IBGZPJMESA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzyl 1-phenylethylcarbamate
CID 9837961
(R)-3-((S)-1-(2',4'-difluorobiphenyl-4-yl)ethyl)-6-(4-fluorophenyl)-6-(2-(methylamino)ethyl)-1,3-oxazinan-2-one
CID 66856519
benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate
CID 95241701
3-Benzyl-4,5-diphenyl-1,3-oxazol-2(3H)-one
CID 12345610
2-Methylamino-4-phenyl-2,6-bis(pentafluorophenyl)-2h-pyran
CID 15099819
3-Benzyl-5-(4-fluorophenyl)-4-prop-2-enyl-1,3-oxazol-2-one
CID 60170469
benzyl N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate
CID 101836032
Benzyl 1-(4-flurophenyl)but-3-enylcarbamate
CID 129845489
benzyl N-[cyano(4-fluorophenyl)methyl]carbamate
CID 135011223
benzyl N-[(1S)-1-(4-fluorophenyl)-2-hydroxyethyl]carbamate
CID 135066300
5-(4-Fluorophenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one
CID 164686730
benzyl N-[(1S)-2,2,3,3-tetrafluoro-1-phenylpent-4-enyl]carbamate
CID 178251670

Frequently Asked Questions

What is the IUPAC name of (4S)-6-(4-fluorophenyl)-4-phenyl-5-phenylselanyl-3,4-dihydro-1,3-oxazin-2-one?
The IUPAC name of (4S)-6-(4-fluorophenyl)-4-phenyl-5-phenylselanyl-3,4-dihydro-1,3-oxazin-2-one (CID 122212577) is (4S)-6-(4-fluorophenyl)-4-phenyl-5-phenylselanyl-3,4-dihydro-1,3-oxazin-2-one.
What is the SMILES notation for (4S)-6-(4-fluorophenyl)-4-phenyl-5-phenylselanyl-3,4-dihydro-1,3-oxazin-2-one?
The canonical SMILES for (4S)-6-(4-fluorophenyl)-4-phenyl-5-phenylselanyl-3,4-dihydro-1,3-oxazin-2-one is O=C1N[C@@H](c2ccccc2)C([Se]c2ccccc2)=C(c2ccc(F)cc2)O1.
What is the InChIKey of (4S)-6-(4-fluorophenyl)-4-phenyl-5-phenylselanyl-3,4-dihydro-1,3-oxazin-2-one?
The InChIKey is UANVRVKFLLQOJE-IBGZPJMESA-N. The full InChI is InChI=1S/C22H16FNO2Se/c23-17-13-11-16(12-14-17)20-21(27-18-9-5-2-6-10-18)19(24-22(25)26-20)15-7-3-1-4-8-15/h1-14,19H,(H,24,25)/t19-/m0/s1.
What are the key properties of (4S)-6-(4-fluorophenyl)-4-phenyl-5-phenylselanyl-3,4-dihydro-1,3-oxazin-2-one?
(4S)-6-(4-fluorophenyl)-4-phenyl-5-phenylselanyl-3,4-dihydro-1,3-oxazin-2-one has a molecular weight of 424.33 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-(4-fluorophenyl)-4-phenyl-5-phenylselanyl-3,4-dihydro-1,3-oxazin-2-one is sourced from PubChem (CID 122212577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).