(4R,6R)-2-(4-fluorophenyl)-6-methyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine

C17H16FNO — CID 11558079

IUPAC(4R,6R)-2-(4-fluorophenyl)-6-methyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine
SMILESC[C@@H]1C[C@H](c2ccccc2)N=C(c2ccc(F)cc2)O1
InChIInChI=1S/C17H16FNO/c1-12-11-16(13-5-3-2-4-6-13)19-17(20-12)14-7-9-15(18)10-8-14/h2-10,12,16H,11H2,1H3/t12-,16-/m1/s1
InChIKeyCCIFGQTWWUHOHS-MLGOLLRUSA-N
MW269.32 g/mol
LogP4.12
Rot. Bonds2

About (4R,6R)-2-(4-fluorophenyl)-6-methyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine

(4R,6R)-2-(4-fluorophenyl)-6-methyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 11558079) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is (4R,6R)-2-(4-fluorophenyl)-6-methyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name(4R,6R)-2-(4-fluorophenyl)-6-methyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID11558079
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name(4R,6R)-2-(4-fluorophenyl)-6-methyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine
SMILESC[C@@H]1C[C@H](c2ccccc2)N=C(c2ccc(F)cc2)O1
InChIInChI=1S/C17H16FNO/c1-12-11-16(13-5-3-2-4-6-13)19-17(20-12)14-7-9-15(18)10-8-14/h2-10,12,16H,11H2,1H3/t12-,16-/m1/s1
InChIKeyCCIFGQTWWUHOHS-MLGOLLRUSA-N
XLogP4.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Diphenyl-1,3-oxazoline
CID 10889524
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-(4-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 9547849
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
2-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414791
(5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10911168
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
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

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-2-(4-fluorophenyl)-6-methyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of (4R,6R)-2-(4-fluorophenyl)-6-methyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine (CID 11558079) is (4R,6R)-2-(4-fluorophenyl)-6-methyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for (4R,6R)-2-(4-fluorophenyl)-6-methyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for (4R,6R)-2-(4-fluorophenyl)-6-methyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine is C[C@@H]1C[C@H](c2ccccc2)N=C(c2ccc(F)cc2)O1.
What is the InChIKey of (4R,6R)-2-(4-fluorophenyl)-6-methyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is CCIFGQTWWUHOHS-MLGOLLRUSA-N. The full InChI is InChI=1S/C17H16FNO/c1-12-11-16(13-5-3-2-4-6-13)19-17(20-12)14-7-9-15(18)10-8-14/h2-10,12,16H,11H2,1H3/t12-,16-/m1/s1.
What are the key properties of (4R,6R)-2-(4-fluorophenyl)-6-methyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine?
(4R,6R)-2-(4-fluorophenyl)-6-methyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 269.32 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-2-(4-fluorophenyl)-6-methyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 11558079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).