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

C22H19NO — CID 122224215

IUPAC(5R,6S)-2,5,6-triphenyl-5,6-dihydro-4H-1,3-oxazine
SMILESc1ccc(C2=NC[C@@H](c3ccccc3)[C@@H](c3ccccc3)O2)cc1
InChIInChI=1S/C22H19NO/c1-4-10-17(11-5-1)20-16-23-22(19-14-8-3-9-15-19)24-21(20)18-12-6-2-7-13-18/h1-15,20-21H,16H2/t20-,21+/m0/s1
InChIKeyCVUYMLVBLRCUNG-LEWJYISDSA-N
MW313.40 g/mol
LogP4.99
Rot. Bonds3

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

(5R,6S)-2,5,6-triphenyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 122224215) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is (5R,6S)-2,5,6-triphenyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name(5R,6S)-2,5,6-triphenyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID122224215
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name(5R,6S)-2,5,6-triphenyl-5,6-dihydro-4H-1,3-oxazine
SMILESc1ccc(C2=NC[C@@H](c3ccccc3)[C@@H](c3ccccc3)O2)cc1
InChIInChI=1S/C22H19NO/c1-4-10-17(11-5-1)20-16-23-22(19-14-8-3-9-15-19)24-21(20)18-12-6-2-7-13-18/h1-15,20-21H,16H2/t20-,21+/m0/s1
InChIKeyCVUYMLVBLRCUNG-LEWJYISDSA-N
XLogP4.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-ol
CID 14650602
5-phenyl-2-[4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 127262929
2-phenyl-4,5-dihydro-1,3-oxazol-5-ol
CID 135011554
2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole
CID 132523730
[(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 15259255
2-phenyl-5-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 13484536
(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 102576068
(5S,6S)-2-tert-butyl-5-(4-methoxyphenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 122380544
4,6-diphenyl-5,6-dihydro-2H-1,3-oxazine
CID 177458650
6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 5102402
(5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole
CID 134961820
2-fluoro-5-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol
CID 173312747

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-2,5,6-triphenyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of (5R,6S)-2,5,6-triphenyl-5,6-dihydro-4H-1,3-oxazine (CID 122224215) is (5R,6S)-2,5,6-triphenyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for (5R,6S)-2,5,6-triphenyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for (5R,6S)-2,5,6-triphenyl-5,6-dihydro-4H-1,3-oxazine is c1ccc(C2=NC[C@@H](c3ccccc3)[C@@H](c3ccccc3)O2)cc1.
What is the InChIKey of (5R,6S)-2,5,6-triphenyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is CVUYMLVBLRCUNG-LEWJYISDSA-N. The full InChI is InChI=1S/C22H19NO/c1-4-10-17(11-5-1)20-16-23-22(19-14-8-3-9-15-19)24-21(20)18-12-6-2-7-13-18/h1-15,20-21H,16H2/t20-,21+/m0/s1.
What are the key properties of (5R,6S)-2,5,6-triphenyl-5,6-dihydro-4H-1,3-oxazine?
(5R,6S)-2,5,6-triphenyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 313.40 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-2,5,6-triphenyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 122224215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).