(2S,6S)-2,6-diphenyl-1,3-oxazinan-4-one

C16H15NO2 — CID 16750773

IUPAC(2S,6S)-2,6-diphenyl-1,3-oxazinan-4-one
SMILESO=C1C[C@@H](c2ccccc2)O[C@@H](c2ccccc2)N1
InChIInChI=1S/C16H15NO2/c18-15-11-14(12-7-3-1-4-8-12)19-16(17-15)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H,17,18)/t14-,16-/m0/s1
InChIKeyGYFMHRXQPIPBMT-HOCLYGCPSA-N
MW253.30 g/mol
LogP2.96
Rot. Bonds2

About (2S,6S)-2,6-diphenyl-1,3-oxazinan-4-one

(2S,6S)-2,6-diphenyl-1,3-oxazinan-4-one (PubChem CID 16750773) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2S,6S)-2,6-diphenyl-1,3-oxazinan-4-one.

Molecular Properties

Compound Name(2S,6S)-2,6-diphenyl-1,3-oxazinan-4-one
PubChem CID16750773
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(2S,6S)-2,6-diphenyl-1,3-oxazinan-4-one
SMILESO=C1C[C@@H](c2ccccc2)O[C@@H](c2ccccc2)N1
InChIInChI=1S/C16H15NO2/c18-15-11-14(12-7-3-1-4-8-12)19-16(17-15)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H,17,18)/t14-,16-/m0/s1
InChIKeyGYFMHRXQPIPBMT-HOCLYGCPSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-diphenyl-1,3-oxazinan-4-one?
The IUPAC name of (2S,6S)-2,6-diphenyl-1,3-oxazinan-4-one (CID 16750773) is (2S,6S)-2,6-diphenyl-1,3-oxazinan-4-one.
What is the SMILES notation for (2S,6S)-2,6-diphenyl-1,3-oxazinan-4-one?
The canonical SMILES for (2S,6S)-2,6-diphenyl-1,3-oxazinan-4-one is O=C1C[C@@H](c2ccccc2)O[C@@H](c2ccccc2)N1.
What is the InChIKey of (2S,6S)-2,6-diphenyl-1,3-oxazinan-4-one?
The InChIKey is GYFMHRXQPIPBMT-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H15NO2/c18-15-11-14(12-7-3-1-4-8-12)19-16(17-15)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H,17,18)/t14-,16-/m0/s1.
What are the key properties of (2S,6S)-2,6-diphenyl-1,3-oxazinan-4-one?
(2S,6S)-2,6-diphenyl-1,3-oxazinan-4-one has a molecular weight of 253.30 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-diphenyl-1,3-oxazinan-4-one is sourced from PubChem (CID 16750773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).