(5R,6S)-5,6-diphenyl-1,3-oxazinan-2-one

C16H15NO2 — CID 71413482

IUPAC(5R,6S)-5,6-diphenyl-1,3-oxazinan-2-one
SMILESO=C1NC[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C16H15NO2/c18-16-17-11-14(12-7-3-1-4-8-12)15(19-16)13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H,17,18)/t14-,15+/m0/s1
InChIKeyDVEQFVQOXGVBFP-LSDHHAIUSA-N
MW253.30 g/mol
LogP3.25
Rot. Bonds2

About (5R,6S)-5,6-diphenyl-1,3-oxazinan-2-one

(5R,6S)-5,6-diphenyl-1,3-oxazinan-2-one (PubChem CID 71413482) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (5R,6S)-5,6-diphenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(5R,6S)-5,6-diphenyl-1,3-oxazinan-2-one
PubChem CID71413482
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(5R,6S)-5,6-diphenyl-1,3-oxazinan-2-one
SMILESO=C1NC[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C16H15NO2/c18-16-17-11-14(12-7-3-1-4-8-12)15(19-16)13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H,17,18)/t14-,15+/m0/s1
InChIKeyDVEQFVQOXGVBFP-LSDHHAIUSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5,6-diphenyl-1,3-oxazinan-2-one?
The IUPAC name of (5R,6S)-5,6-diphenyl-1,3-oxazinan-2-one (CID 71413482) is (5R,6S)-5,6-diphenyl-1,3-oxazinan-2-one.
What is the SMILES notation for (5R,6S)-5,6-diphenyl-1,3-oxazinan-2-one?
The canonical SMILES for (5R,6S)-5,6-diphenyl-1,3-oxazinan-2-one is O=C1NC[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1.
What is the InChIKey of (5R,6S)-5,6-diphenyl-1,3-oxazinan-2-one?
The InChIKey is DVEQFVQOXGVBFP-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16-17-11-14(12-7-3-1-4-8-12)15(19-16)13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H,17,18)/t14-,15+/m0/s1.
What are the key properties of (5R,6S)-5,6-diphenyl-1,3-oxazinan-2-one?
(5R,6S)-5,6-diphenyl-1,3-oxazinan-2-one has a molecular weight of 253.30 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5,6-diphenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 71413482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).