(4R,6R)-6-cyclohexyloxy-2,4-diphenyl-5,6-dihydro-4H-1,3-oxazine

C22H25NO2 — CID 101030852

IUPAC(4R,6R)-6-cyclohexyloxy-2,4-diphenyl-5,6-dihydro-4H-1,3-oxazine
SMILESc1ccc(C2=N[C@@H](c3ccccc3)C[C@H](OC3CCCCC3)O2)cc1
InChIInChI=1S/C22H25NO2/c1-4-10-17(11-5-1)20-16-21(24-19-14-8-3-9-15-19)25-22(23-20)18-12-6-2-7-13-18/h1-2,4-7,10-13,19-21H,3,8-9,14-16H2/t20-,21-/m1/s1
InChIKeyGXTWMRYGPMPZSB-NHCUHLMSSA-N
MW335.45 g/mol
LogP5.27
Rot. Bonds4

About (4R,6R)-6-cyclohexyloxy-2,4-diphenyl-5,6-dihydro-4H-1,3-oxazine

(4R,6R)-6-cyclohexyloxy-2,4-diphenyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 101030852) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (4R,6R)-6-cyclohexyloxy-2,4-diphenyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name(4R,6R)-6-cyclohexyloxy-2,4-diphenyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID101030852
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(4R,6R)-6-cyclohexyloxy-2,4-diphenyl-5,6-dihydro-4H-1,3-oxazine
SMILESc1ccc(C2=N[C@@H](c3ccccc3)C[C@H](OC3CCCCC3)O2)cc1
InChIInChI=1S/C22H25NO2/c1-4-10-17(11-5-1)20-16-21(24-19-14-8-3-9-15-19)25-22(23-20)18-12-6-2-7-13-18/h1-2,4-7,10-13,19-21H,3,8-9,14-16H2/t20-,21-/m1/s1
InChIKeyGXTWMRYGPMPZSB-NHCUHLMSSA-N
XLogP5.27
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 44550907
(4R,5R)-2-(2-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101797567
(4R,5R)-2-(3-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101797569
2-(2,6-difluorophenyl)-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine
CID 54056058
4-(4-phenylphenyl)-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-oxazine
CID 54215848
2-(2,4-difluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine
CID 54273906
2-(4-Fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 75066553
1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 156226445
1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]propan-1-imine
CID 156226446
1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine
CID 167270501
2,4,6-triphenyl-4H-1,3-oxazine
CID 4225621
(4R,5R)-2,4,5-triphenyl-4,5-dihydro-1,3-oxazole
CID 12480108

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-cyclohexyloxy-2,4-diphenyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of (4R,6R)-6-cyclohexyloxy-2,4-diphenyl-5,6-dihydro-4H-1,3-oxazine (CID 101030852) is (4R,6R)-6-cyclohexyloxy-2,4-diphenyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for (4R,6R)-6-cyclohexyloxy-2,4-diphenyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for (4R,6R)-6-cyclohexyloxy-2,4-diphenyl-5,6-dihydro-4H-1,3-oxazine is c1ccc(C2=N[C@@H](c3ccccc3)C[C@H](OC3CCCCC3)O2)cc1.
What is the InChIKey of (4R,6R)-6-cyclohexyloxy-2,4-diphenyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is GXTWMRYGPMPZSB-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H25NO2/c1-4-10-17(11-5-1)20-16-21(24-19-14-8-3-9-15-19)25-22(23-20)18-12-6-2-7-13-18/h1-2,4-7,10-13,19-21H,3,8-9,14-16H2/t20-,21-/m1/s1.
What are the key properties of (4R,6R)-6-cyclohexyloxy-2,4-diphenyl-5,6-dihydro-4H-1,3-oxazine?
(4R,6R)-6-cyclohexyloxy-2,4-diphenyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 335.45 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-cyclohexyloxy-2,4-diphenyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 101030852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).