(4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium

C15H21NO4 — CID 134876798

IUPAC(4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium
SMILESCCCCO[C@H]1C[C@@H](OCc2ccccc2)C=[N+]([O-])O1
InChIInChI=1S/C15H21NO4/c1-2-3-9-18-15-10-14(11-16(17)20-15)19-12-13-7-5-4-6-8-13/h4-8,11,14-15H,2-3,9-10,12H2,1H3/t14-,15-/m1/s1
InChIKeyYVWBOZJJOTVWDX-HUUCEWRRSA-N
MW279.34 g/mol
LogP2.63
Rot. Bonds7

About (4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium

(4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium (PubChem CID 134876798) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium.

Molecular Properties

Compound Name(4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium
PubChem CID134876798
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium
SMILESCCCCO[C@H]1C[C@@H](OCc2ccccc2)C=[N+]([O-])O1
InChIInChI=1S/C15H21NO4/c1-2-3-9-18-15-10-14(11-16(17)20-15)19-12-13-7-5-4-6-8-13/h4-8,11,14-15H,2-3,9-10,12H2,1H3/t14-,15-/m1/s1
InChIKeyYVWBOZJJOTVWDX-HUUCEWRRSA-N
XLogP2.63
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(Z)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxyoxan-2-yl]methyl acetate
CID 16758489
[(2R,3S,6R)-3-acetyloxy-6-[2-[(E)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 9556094
[(2S,3S,6R)-3-acetyloxy-6-[(2Z)-2-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]iminoethyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 16758404
[(2S,3S,6R)-3-acetyloxy-6-[2-[(Z)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 16758484
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(E)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxyoxan-2-yl]methyl acetate
CID 9556104
5-(Phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole
CID 69091741
(Z,2R,3R)-N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]-2,4-dimethyl-3-phenylmethoxypentan-1-imine
CID 6518340
(Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine
CID 6518409
methyl (Z,5R,6S,7Z)-7-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]imino-6-methoxy-5-methylhept-3-enoate
CID 16758516
[3,4,5-Triacetyloxy-6-[(2,4-dimethyl-3-phenylmethoxypentylidene)amino]oxyoxan-2-yl]methyl acetate
CID 73324463
(E,2R)-3,3-difluoro-N,2-bis(phenylmethoxy)butan-1-imine
CID 15038957
CID 172934747
CID 172934747

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium?
The IUPAC name of (4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium (CID 134876798) is (4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium.
What is the SMILES notation for (4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium?
The canonical SMILES for (4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium is CCCCO[C@H]1C[C@@H](OCc2ccccc2)C=[N+]([O-])O1.
What is the InChIKey of (4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium?
The InChIKey is YVWBOZJJOTVWDX-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-3-9-18-15-10-14(11-16(17)20-15)19-12-13-7-5-4-6-8-13/h4-8,11,14-15H,2-3,9-10,12H2,1H3/t14-,15-/m1/s1.
What are the key properties of (4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium?
(4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium has a molecular weight of 279.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium is sourced from PubChem (CID 134876798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).