4-(4-phenylphenyl)-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-oxazine

C22H16F3NO — CID 54215848

IUPAC4-(4-phenylphenyl)-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-oxazine
SMILESFc1cc(F)c(C2=NC(c3ccc(-c4ccccc4)cc3)CCO2)cc1F
InChIInChI=1S/C22H16F3NO/c23-18-13-20(25)19(24)12-17(18)22-26-21(10-11-27-22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,12-13,21H,10-11H2
InChIKeyPZCVSZKOJSZRIN-UHFFFAOYSA-N
MW367.37 g/mol
LogP5.68
Rot. Bonds3

About 4-(4-phenylphenyl)-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-oxazine

4-(4-phenylphenyl)-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-oxazine (PubChem CID 54215848) has the molecular formula C22H16F3NO and a molecular weight of 367.37 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name4-(4-phenylphenyl)-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-oxazine
PubChem CID54215848
Molecular FormulaC22H16F3NO
Molecular Weight367.37 g/mol
Exact Mass367.12
IUPAC Name4-(4-phenylphenyl)-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-oxazine
SMILESFc1cc(F)c(C2=NC(c3ccc(-c4ccccc4)cc3)CCO2)cc1F
InChIInChI=1S/C22H16F3NO/c23-18-13-20(25)19(24)12-17(18)22-26-21(10-11-27-22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,12-13,21H,10-11H2
InChIKeyPZCVSZKOJSZRIN-UHFFFAOYSA-N
XLogP5.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-(4-phenylphenyl)-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-oxazine 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

4-(4-Tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853220
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
2-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414791
2-(2,6-Difluorophenyl)-4-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 14853231
2-(2,6-Difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 14853251
4-(2,4-Difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853270
2-(2,6-Difluorophenyl)-4-(4-dodecylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007777
2-(2,6-Difluorophenyl)-4-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007780
2-(2,6-Difluorophenyl)-4-(2-fluoro-4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15008028
2-(2,6-Difluorophenyl)-4-(2-fluoro-4-heptylphenyl)-4,5-dihydro-1,3-oxazole
CID 15008032

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 4-(4-phenylphenyl)-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-oxazine (CID 54215848) is 4-(4-phenylphenyl)-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 4-(4-phenylphenyl)-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 4-(4-phenylphenyl)-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-oxazine is Fc1cc(F)c(C2=NC(c3ccc(-c4ccccc4)cc3)CCO2)cc1F.
What is the InChIKey of 4-(4-phenylphenyl)-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is PZCVSZKOJSZRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3NO/c23-18-13-20(25)19(24)12-17(18)22-26-21(10-11-27-22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,12-13,21H,10-11H2.
What are the key properties of 4-(4-phenylphenyl)-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-oxazine?
4-(4-phenylphenyl)-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 367.37 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 54215848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).