(4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol

C12H17NO2 — CID 11241219

IUPAC(4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol
SMILESCC1OC[C@H](O)[C@@H](c2ccccc2)N1C
InChIInChI=1S/C12H17NO2/c1-9-13(2)12(11(14)8-15-9)10-6-4-3-5-7-10/h3-7,9,11-12,14H,8H2,1-2H3/t9?,11-,12+/m0/s1
InChIKeyCFQRYAURGICDPO-CLGJWYQZSA-N
MW207.27 g/mol
LogP1.40
Rot. Bonds1

About (4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol

(4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol (PubChem CID 11241219) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol.

Molecular Properties

Compound Name(4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol
PubChem CID11241219
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol
SMILESCC1OC[C@H](O)[C@@H](c2ccccc2)N1C
InChIInChI=1S/C12H17NO2/c1-9-13(2)12(11(14)8-15-9)10-6-4-3-5-7-10/h3-7,9,11-12,14H,8H2,1-2H3/t9?,11-,12+/m0/s1
InChIKeyCFQRYAURGICDPO-CLGJWYQZSA-N
XLogP1.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine
CID 102061324
1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 2729803
(2R,3S,4S,6S)-1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 6541757
4-methyl-3-methylidene-2-phenyloxolane
CID 102507227
(3S,6R,7S)-4-methyl-9-phenyl-2,8,10-trioxa-4-azatricyclo[5.4.0.03,5]undecan-6-ol
CID 126591222
[(4R,5R)-3-methyl-4-phenyl-1,3-oxazolidin-5-yl]methanol
CID 101352281
(3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one
CID 130977904
(2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol
CID 7112212
(1R,2R,4S,5S,6S,8R)-3-methyl-2,4,6,8-tetraphenyl-3-azabicyclo[3.3.1]nonan-9-one
CID 98127168
ethane;2-phenyloxirane
CID 54171856
(4S,5S)-4-[(4S,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 176837277
(4S,5R)-4-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 90322628

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol?
The IUPAC name of (4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol (CID 11241219) is (4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol.
What is the SMILES notation for (4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol?
The canonical SMILES for (4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol is CC1OC[C@H](O)[C@@H](c2ccccc2)N1C.
What is the InChIKey of (4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol?
The InChIKey is CFQRYAURGICDPO-CLGJWYQZSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-13(2)12(11(14)8-15-9)10-6-4-3-5-7-10/h3-7,9,11-12,14H,8H2,1-2H3/t9?,11-,12+/m0/s1.
What are the key properties of (4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol?
(4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol has a molecular weight of 207.27 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol is sourced from PubChem (CID 11241219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).