(5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one

C13H17NO2 — CID 10536862

IUPAC(5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one
SMILESCC(C)[C@@H]1CNC(=O)O[C@@H]1c1ccccc1
InChIInChI=1S/C13H17NO2/c1-9(2)11-8-14-13(15)16-12(11)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,14,15)/t11-,12+/m0/s1
InChIKeyGCLYGDFLOUCMMU-NWDGAFQWSA-N
MW219.28 g/mol
LogP2.74
Rot. Bonds2

About (5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one

(5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one (PubChem CID 10536862) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one
PubChem CID10536862
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one
SMILESCC(C)[C@@H]1CNC(=O)O[C@@H]1c1ccccc1
InChIInChI=1S/C13H17NO2/c1-9(2)11-8-14-13(15)16-12(11)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,14,15)/t11-,12+/m0/s1
InChIKeyGCLYGDFLOUCMMU-NWDGAFQWSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one
CID 158495868
(5R,6S)-5,6-diphenyl-1,3-oxazinan-2-one
CID 71413482
(4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70829759
2-phenyl-3-propan-2-ylazetidine
CID 66350091
2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid
CID 57373165
4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one
CID 14553806
5-(2,4-dimethylpentan-3-yl)-1,3-oxazolidin-2-one
CID 130517363
5-(2-chlorophenyl)-1,3-oxazolidin-2-one;2-methylpropane
CID 158731739
5-(1-trityloxyethyl)-1,3-oxazolidin-2-one
CID 69241771
(5S)-N-[(2R)-1-(3-chlorophenyl)-1-(2-phenylcyclopropyl)propan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 174115427
trans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one
CID 100973232
5-(2-methoxy-2-phenylethyl)-1,3-oxazolidin-2-one
CID 57077747

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one?
The IUPAC name of (5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one (CID 10536862) is (5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one.
What is the SMILES notation for (5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one?
The canonical SMILES for (5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one is CC(C)[C@@H]1CNC(=O)O[C@@H]1c1ccccc1.
What is the InChIKey of (5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one?
The InChIKey is GCLYGDFLOUCMMU-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)11-8-14-13(15)16-12(11)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,14,15)/t11-,12+/m0/s1.
What are the key properties of (5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one?
(5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one is sourced from PubChem (CID 10536862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).