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

C17H17NO — CID 134968167

IUPAC(4R,6S)-2-methyl-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine
SMILESCC1=N[C@@H](c2ccccc2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C17H17NO/c1-13-18-16(14-8-4-2-5-9-14)12-17(19-13)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3/t16-,17+/m1/s1
InChIKeyHYCOSHJGDWWECF-SJORKVTESA-N
MW251.33 g/mol
LogP4.31
Rot. Bonds2

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

(4R,6S)-2-methyl-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 134968167) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (4R,6S)-2-methyl-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name(4R,6S)-2-methyl-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID134968167
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(4R,6S)-2-methyl-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine
SMILESCC1=N[C@@H](c2ccccc2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C17H17NO/c1-13-18-16(14-8-4-2-5-9-14)12-17(19-13)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3/t16-,17+/m1/s1
InChIKeyHYCOSHJGDWWECF-SJORKVTESA-N
XLogP4.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenylpyraline
CID 3103
(4R,5S,4'R,5'S)-2,2'-Methylenebis(4,5-diphenyl-2-oxazoline)
CID 2818124
1-Benzhydryl-4-ethoxy-4-phenylpiperidine
CID 10022129
1-Benzhydryl-4-phenyl-4-propoxypiperidine
CID 10317947
Oxazole, 4,5-dihydro-4-(methoxymethyl)-2-methyl-5-phenyl-, (4S,5S)-
CID 671208
2,4-Diphenyl-1,3-oxazoline
CID 10889524
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
N-Benzyl(ethoxy)phenylethanimidamide
CID 47199
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis(4,5-dihydro-4,5-diphenyloxazole)
CID 15358971
2-(4-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 9547849
(2S,4S)-4-(Benzhydryloxy)-2-isopropyl-1-methylpiperidine
CID 504083

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-2-methyl-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of (4R,6S)-2-methyl-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine (CID 134968167) is (4R,6S)-2-methyl-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for (4R,6S)-2-methyl-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for (4R,6S)-2-methyl-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine is CC1=N[C@@H](c2ccccc2)C[C@@H](c2ccccc2)O1.
What is the InChIKey of (4R,6S)-2-methyl-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is HYCOSHJGDWWECF-SJORKVTESA-N. The full InChI is InChI=1S/C17H17NO/c1-13-18-16(14-8-4-2-5-9-14)12-17(19-13)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3/t16-,17+/m1/s1.
What are the key properties of (4R,6S)-2-methyl-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine?
(4R,6S)-2-methyl-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 251.33 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-2-methyl-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 134968167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).