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

C22H18N2O3 — CID 71444866

IUPAC(4R,6R)-4-(4-nitrophenyl)-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine
SMILESO=[N+]([O-])c1ccc([C@H]2C[C@H](c3ccccc3)OC(c3ccccc3)=N2)cc1
InChIInChI=1S/C22H18N2O3/c25-24(26)19-13-11-16(12-14-19)20-15-21(17-7-3-1-4-8-17)27-22(23-20)18-9-5-2-6-10-18/h1-14,20-21H,15H2/t20-,21-/m1/s1
InChIKeyCKYGZHSFHRIXDQ-NHCUHLMSSA-N
MW358.40 g/mol
LogP5.24
Rot. Bonds4

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

(4R,6R)-4-(4-nitrophenyl)-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 71444866) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is (4R,6R)-4-(4-nitrophenyl)-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name(4R,6R)-4-(4-nitrophenyl)-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID71444866
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name(4R,6R)-4-(4-nitrophenyl)-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine
SMILESO=[N+]([O-])c1ccc([C@H]2C[C@H](c3ccccc3)OC(c3ccccc3)=N2)cc1
InChIInChI=1S/C22H18N2O3/c25-24(26)19-13-11-16(12-14-19)20-15-21(17-7-3-1-4-8-17)27-22(23-20)18-9-5-2-6-10-18/h1-14,20-21H,15H2/t20-,21-/m1/s1
InChIKeyCKYGZHSFHRIXDQ-NHCUHLMSSA-N
XLogP5.24
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl)benzonitrile
CID 10616982
(4R,5S)-4-methyl-2-(4-nitrophenyl)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 15896957
(2R,4S,6S)-2,4-bis(4-nitrophenyl)-6-phenyl-1,3-dioxane
CID 100817075
(2S,4R)-4-(4-nitrophenyl)-2,6-diphenyl-3,4-dihydro-2H-pyran-5-carbonitrile
CID 101117497
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688
3-[(5-nitro-2-pyridinyl)amino]-5-phenyloxolan-2-one
CID 91155589
1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone
CID 24987776
(2R,4R)-4-(4-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene
CID 71407648
[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]-phenylmethanone
CID 24987775
(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
CID 14770197
2-(4-nitrophenyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-dioxazine
CID 12540831
[(4S,5R)-5-(3-nitrophenyl)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-phenylmethanone
CID 139221421

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4-(4-nitrophenyl)-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of (4R,6R)-4-(4-nitrophenyl)-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine (CID 71444866) is (4R,6R)-4-(4-nitrophenyl)-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for (4R,6R)-4-(4-nitrophenyl)-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for (4R,6R)-4-(4-nitrophenyl)-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine is O=[N+]([O-])c1ccc([C@H]2C[C@H](c3ccccc3)OC(c3ccccc3)=N2)cc1.
What is the InChIKey of (4R,6R)-4-(4-nitrophenyl)-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is CKYGZHSFHRIXDQ-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-24(26)19-13-11-16(12-14-19)20-15-21(17-7-3-1-4-8-17)27-22(23-20)18-9-5-2-6-10-18/h1-14,20-21H,15H2/t20-,21-/m1/s1.
What are the key properties of (4R,6R)-4-(4-nitrophenyl)-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine?
(4R,6R)-4-(4-nitrophenyl)-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 358.40 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4-(4-nitrophenyl)-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 71444866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).