(2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine

C16H23NO4 — CID 15399965

IUPAC(2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine
SMILESCCO[C@H]1C[C@@H]2[C@@H](c3ccccc3)C[C@@H](OCC)ON2O1
InChIInChI=1S/C16H23NO4/c1-3-18-15-10-13(12-8-6-5-7-9-12)14-11-16(19-4-2)21-17(14)20-15/h5-9,13-16H,3-4,10-11H2,1-2H3/t13-,14-,15+,16-/m1/s1
InChIKeyKXIKGORKSOIIOB-LVQVYYBASA-N
MW293.36 g/mol
LogP2.84
Rot. Bonds5

About (2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine

(2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine (PubChem CID 15399965) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine.

Molecular Properties

Compound Name(2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine
PubChem CID15399965
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine
SMILESCCO[C@H]1C[C@@H]2[C@@H](c3ccccc3)C[C@@H](OCC)ON2O1
InChIInChI=1S/C16H23NO4/c1-3-18-15-10-13(12-8-6-5-7-9-12)14-11-16(19-4-2)21-17(14)20-15/h5-9,13-16H,3-4,10-11H2,1-2H3/t13-,14-,15+,16-/m1/s1
InChIKeyKXIKGORKSOIIOB-LVQVYYBASA-N
XLogP2.84
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine with MolForge

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Related Compounds

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CID 11558094
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CID 23252843
2-[(2R,4S)-2-ethoxyoxan-4-yl]-1,1-diphenylhydrazine
CID 102351117
3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene
CID 3717788
[(2S)-2-butoxycyclopropyl]benzene
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[(1R,2R)-2-butoxycyclopropyl]benzene
CID 13263839
[(1R,2S)-2-butoxycyclopropyl]benzene
CID 13263840
(1S,2S,4R,6S,9R,12R)-4-ethoxy-12-phenyl-3,8,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane
CID 10335299
(2Z,3S,5S)-2-benzylidene-3-ethoxy-5-phenyloxolane
CID 100917735
(5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione
CID 102263224
3-(2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl)-3-fluoro-2-methylbutan-2-ol
CID 85159647
(3S)-3-[(3S)-2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl]-2-methylbutan-2-ol
CID 10541764

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine?
The IUPAC name of (2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine (CID 15399965) is (2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine.
What is the SMILES notation for (2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine?
The canonical SMILES for (2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine is CCO[C@H]1C[C@@H]2[C@@H](c3ccccc3)C[C@@H](OCC)ON2O1.
What is the InChIKey of (2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine?
The InChIKey is KXIKGORKSOIIOB-LVQVYYBASA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-18-15-10-13(12-8-6-5-7-9-12)14-11-16(19-4-2)21-17(14)20-15/h5-9,13-16H,3-4,10-11H2,1-2H3/t13-,14-,15+,16-/m1/s1.
What are the key properties of (2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine?
(2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine has a molecular weight of 293.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine is sourced from PubChem (CID 15399965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).