(2R,4R,6S)-2,3,4,6-tetraphenyl-1,3-oxazinane

C28H25NO — CID 7312558

IUPAC(2R,4R,6S)-2,3,4,6-tetraphenyl-1,3-oxazinane
SMILESc1ccc([C@@H]2C[C@H](c3ccccc3)N(c3ccccc3)[C@@H](c3ccccc3)O2)cc1
InChIInChI=1S/C28H25NO/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)30-28(24-17-9-3-10-18-24)29(26)25-19-11-4-12-20-25/h1-20,26-28H,21H2/t26-,27+,28-/m1/s1
InChIKeyHEZOFEVKWQYVSB-OZNIXHKMSA-N
MW391.51 g/mol
LogP7.09
Rot. Bonds4

About (2R,4R,6S)-2,3,4,6-tetraphenyl-1,3-oxazinane

(2R,4R,6S)-2,3,4,6-tetraphenyl-1,3-oxazinane (PubChem CID 7312558) has the molecular formula C28H25NO and a molecular weight of 391.51 g/mol. Its IUPAC name is (2R,4R,6S)-2,3,4,6-tetraphenyl-1,3-oxazinane.

Molecular Properties

Compound Name(2R,4R,6S)-2,3,4,6-tetraphenyl-1,3-oxazinane
PubChem CID7312558
Molecular FormulaC28H25NO
Molecular Weight391.51 g/mol
Exact Mass391.19
IUPAC Name(2R,4R,6S)-2,3,4,6-tetraphenyl-1,3-oxazinane
SMILESc1ccc([C@@H]2C[C@H](c3ccccc3)N(c3ccccc3)[C@@H](c3ccccc3)O2)cc1
InChIInChI=1S/C28H25NO/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)30-28(24-17-9-3-10-18-24)29(26)25-19-11-4-12-20-25/h1-20,26-28H,21H2/t26-,27+,28-/m1/s1
InChIKeyHEZOFEVKWQYVSB-OZNIXHKMSA-N
XLogP7.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S,5R)-2,3,4,5-tetraphenyl-1,3-oxazolidine
CID 7312555
(2R,6S)-2,4,6-triphenylmorpholine
CID 102292623
3,5-diphenyl-1,3-oxazolidin-2-one
CID 568810
(3R,5R)-2,5-diphenyl-1,2-oxazolidin-3-amine
CID 139232503
2-phenyloxirane
CID 7276
4-phenyloxetane-2-carboxylic acid
CID 20744932
(4R,6S)-4-methyl-3,6-diphenyl-1,3-oxazinane
CID 10083619
(2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine
CID 10548499
(3S,5R)-1,3,5-triphenylpyrazolidine
CID 51417824
1,3,5-triphenylpyrazolidine
CID 5216868
(3R,5R)-1,5-diphenylpyrrolidin-3-amine
CID 125491761
(2R)-1-chloro-2-phenylaziridine
CID 13129910

Frequently Asked Questions

What is the IUPAC name of (2R,4R,6S)-2,3,4,6-tetraphenyl-1,3-oxazinane?
The IUPAC name of (2R,4R,6S)-2,3,4,6-tetraphenyl-1,3-oxazinane (CID 7312558) is (2R,4R,6S)-2,3,4,6-tetraphenyl-1,3-oxazinane.
What is the SMILES notation for (2R,4R,6S)-2,3,4,6-tetraphenyl-1,3-oxazinane?
The canonical SMILES for (2R,4R,6S)-2,3,4,6-tetraphenyl-1,3-oxazinane is c1ccc([C@@H]2C[C@H](c3ccccc3)N(c3ccccc3)[C@@H](c3ccccc3)O2)cc1.
What is the InChIKey of (2R,4R,6S)-2,3,4,6-tetraphenyl-1,3-oxazinane?
The InChIKey is HEZOFEVKWQYVSB-OZNIXHKMSA-N. The full InChI is InChI=1S/C28H25NO/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)30-28(24-17-9-3-10-18-24)29(26)25-19-11-4-12-20-25/h1-20,26-28H,21H2/t26-,27+,28-/m1/s1.
What are the key properties of (2R,4R,6S)-2,3,4,6-tetraphenyl-1,3-oxazinane?
(2R,4R,6S)-2,3,4,6-tetraphenyl-1,3-oxazinane has a molecular weight of 391.51 g/mol, XLogP of 7.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6S)-2,3,4,6-tetraphenyl-1,3-oxazinane is sourced from PubChem (CID 7312558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).