(4S,6R)-6-methyl-4-(4-methylphenyl)-2,6-diphenyl-4,5-dihydro-1,3-oxazine

C24H23NO — CID 23242317

IUPAC(4S,6R)-6-methyl-4-(4-methylphenyl)-2,6-diphenyl-4,5-dihydro-1,3-oxazine
SMILESCc1ccc([C@@H]2C[C@](C)(c3ccccc3)OC(c3ccccc3)=N2)cc1
InChIInChI=1S/C24H23NO/c1-18-13-15-19(16-14-18)22-17-24(2,21-11-7-4-8-12-21)26-23(25-22)20-9-5-3-6-10-20/h3-16,22H,17H2,1-2H3/t22-,24+/m0/s1
InChIKeyCGJXLYFQIJMQRP-LADGPHEKSA-N
MW341.45 g/mol
LogP5.82
Rot. Bonds3

About (4S,6R)-6-methyl-4-(4-methylphenyl)-2,6-diphenyl-4,5-dihydro-1,3-oxazine

(4S,6R)-6-methyl-4-(4-methylphenyl)-2,6-diphenyl-4,5-dihydro-1,3-oxazine (PubChem CID 23242317) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is (4S,6R)-6-methyl-4-(4-methylphenyl)-2,6-diphenyl-4,5-dihydro-1,3-oxazine.

Molecular Properties

Compound Name(4S,6R)-6-methyl-4-(4-methylphenyl)-2,6-diphenyl-4,5-dihydro-1,3-oxazine
PubChem CID23242317
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name(4S,6R)-6-methyl-4-(4-methylphenyl)-2,6-diphenyl-4,5-dihydro-1,3-oxazine
SMILESCc1ccc([C@@H]2C[C@](C)(c3ccccc3)OC(c3ccccc3)=N2)cc1
InChIInChI=1S/C24H23NO/c1-18-13-15-19(16-14-18)22-17-24(2,21-11-7-4-8-12-21)26-23(25-22)20-9-5-3-6-10-20/h3-16,22H,17H2,1-2H3/t22-,24+/m0/s1
InChIKeyCGJXLYFQIJMQRP-LADGPHEKSA-N
XLogP5.82
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzhydryl-4-ethoxy-4-phenylpiperidine
CID 10022129
1-Benzhydryl-4-methoxy-4-phenylpiperidine
CID 10043898
1-Benzhydryl-4-phenyl-4-propoxypiperidine
CID 10317947
6-Benzyl-2-ethyl-5-methyl-6-phenyl-4,5-dihydro-1,3-oxazine
CID 12372430
(4R)-4,5-Dihydro-2-(4-methylphenyl)-4-phenyloxazole
CID 44414834
(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
2,6-Diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine
CID 132602178
(4R,5S)-4,5-diphenyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 177851342
6-Fluoro-6-[(4-methylphenyl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazine
CID 177851489
5-Methyl-2,5-diphenyl-2-oxazoline
CID 13191724

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-6-methyl-4-(4-methylphenyl)-2,6-diphenyl-4,5-dihydro-1,3-oxazine?
The IUPAC name of (4S,6R)-6-methyl-4-(4-methylphenyl)-2,6-diphenyl-4,5-dihydro-1,3-oxazine (CID 23242317) is (4S,6R)-6-methyl-4-(4-methylphenyl)-2,6-diphenyl-4,5-dihydro-1,3-oxazine.
What is the SMILES notation for (4S,6R)-6-methyl-4-(4-methylphenyl)-2,6-diphenyl-4,5-dihydro-1,3-oxazine?
The canonical SMILES for (4S,6R)-6-methyl-4-(4-methylphenyl)-2,6-diphenyl-4,5-dihydro-1,3-oxazine is Cc1ccc([C@@H]2C[C@](C)(c3ccccc3)OC(c3ccccc3)=N2)cc1.
What is the InChIKey of (4S,6R)-6-methyl-4-(4-methylphenyl)-2,6-diphenyl-4,5-dihydro-1,3-oxazine?
The InChIKey is CGJXLYFQIJMQRP-LADGPHEKSA-N. The full InChI is InChI=1S/C24H23NO/c1-18-13-15-19(16-14-18)22-17-24(2,21-11-7-4-8-12-21)26-23(25-22)20-9-5-3-6-10-20/h3-16,22H,17H2,1-2H3/t22-,24+/m0/s1.
What are the key properties of (4S,6R)-6-methyl-4-(4-methylphenyl)-2,6-diphenyl-4,5-dihydro-1,3-oxazine?
(4S,6R)-6-methyl-4-(4-methylphenyl)-2,6-diphenyl-4,5-dihydro-1,3-oxazine has a molecular weight of 341.45 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-6-methyl-4-(4-methylphenyl)-2,6-diphenyl-4,5-dihydro-1,3-oxazine is sourced from PubChem (CID 23242317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).