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

C22H17F2NO — CID 54273906

IUPAC2-(2,4-difluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine
SMILESFc1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)CCO2)c(F)c1
InChIInChI=1S/C22H17F2NO/c23-18-10-11-19(20(24)14-18)22-25-21(12-13-26-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14,21H,12-13H2
InChIKeyRMBGNHRGBAXCPA-UHFFFAOYSA-N
MW349.38 g/mol
LogP5.54
Rot. Bonds3

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

2-(2,4-difluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine (PubChem CID 54273906) has the molecular formula C22H17F2NO and a molecular weight of 349.38 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine
PubChem CID54273906
Molecular FormulaC22H17F2NO
Molecular Weight349.38 g/mol
Exact Mass349.13
IUPAC Name2-(2,4-difluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine
SMILESFc1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)CCO2)c(F)c1
InChIInChI=1S/C22H17F2NO/c23-18-10-11-19(20(24)14-18)22-25-21(12-13-26-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14,21H,12-13H2
InChIKeyRMBGNHRGBAXCPA-UHFFFAOYSA-N
XLogP5.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.38
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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 2-(2,4-difluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-(2,4-difluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine (CID 54273906) is 2-(2,4-difluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine is Fc1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)CCO2)c(F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is RMBGNHRGBAXCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NO/c23-18-10-11-19(20(24)14-18)22-25-21(12-13-26-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14,21H,12-13H2.
What are the key properties of 2-(2,4-difluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine?
2-(2,4-difluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 349.38 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 54273906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).