6-ethoxy-4-(4-methoxyphenyl)-3-methyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium

C14H19NO4 — CID 72956818

IUPAC6-ethoxy-4-(4-methoxyphenyl)-3-methyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium
SMILESCCOC1CC(c2ccc(OC)cc2)C(C)=[N+]([O-])O1
InChIInChI=1S/C14H19NO4/c1-4-18-14-9-13(10(2)15(16)19-14)11-5-7-12(17-3)8-6-11/h5-8,13-14H,4,9H2,1-3H3
InChIKeyXBSIGFLLIDOAAI-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.45
Rot. Bonds4

About 6-ethoxy-4-(4-methoxyphenyl)-3-methyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium

6-ethoxy-4-(4-methoxyphenyl)-3-methyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium (PubChem CID 72956818) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-ethoxy-4-(4-methoxyphenyl)-3-methyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium.

Molecular Properties

Compound Name6-ethoxy-4-(4-methoxyphenyl)-3-methyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium
PubChem CID72956818
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name6-ethoxy-4-(4-methoxyphenyl)-3-methyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium
SMILESCCOC1CC(c2ccc(OC)cc2)C(C)=[N+]([O-])O1
InChIInChI=1S/C14H19NO4/c1-4-18-14-9-13(10(2)15(16)19-14)11-5-7-12(17-3)8-6-11/h5-8,13-14H,4,9H2,1-3H3
InChIKeyXBSIGFLLIDOAAI-UHFFFAOYSA-N
XLogP2.45
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,6S)-6-ethoxy-3-ethyl-4-(4-methoxyphenyl)-2-oxido-5,6-dihydro-4H-oxazin-2-ium
CID 102289259
(4R,4aS,9aS)-4-(4-methoxyphenyl)-3-methyl-2-oxido-4,4a,5,6,7,8,9,9a-octahydrocyclohepta[e]oxazin-2-ium
CID 10379420
2-ethoxy-7a-methoxy-4-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 10686108
3-(4-methoxyphenyl)-2-propyloxaziridine
CID 22034391
3-(4-methoxyphenyl)-1-oxido-3,5,6,7-tetrahydro-2,1-benzoxazol-1-ium
CID 135073460
1-(3-ethylcyclobutyl)-4-methoxybenzene
CID 166481315
(NZ)-N-[(4S,6R)-4-(4-methoxyphenyl)-6-propyloxan-3-ylidene]hydroxylamine
CID 177483571
5-[(4-methoxyphenyl)methoxy]-3-[(4-nitrophenyl)methyl]-2-oxido-4,5-dihydro-1,2-oxazol-2-ium
CID 10713390
3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 64687156
ethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate
CID 132547002
2-ethyl-3-(4-methoxyphenyl)-2-methylcyclobutan-1-one
CID 81416060
2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol
CID 81422138

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-(4-methoxyphenyl)-3-methyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium?
The IUPAC name of 6-ethoxy-4-(4-methoxyphenyl)-3-methyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium (CID 72956818) is 6-ethoxy-4-(4-methoxyphenyl)-3-methyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium.
What is the SMILES notation for 6-ethoxy-4-(4-methoxyphenyl)-3-methyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium?
The canonical SMILES for 6-ethoxy-4-(4-methoxyphenyl)-3-methyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium is CCOC1CC(c2ccc(OC)cc2)C(C)=[N+]([O-])O1.
What is the InChIKey of 6-ethoxy-4-(4-methoxyphenyl)-3-methyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium?
The InChIKey is XBSIGFLLIDOAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-18-14-9-13(10(2)15(16)19-14)11-5-7-12(17-3)8-6-11/h5-8,13-14H,4,9H2,1-3H3.
What are the key properties of 6-ethoxy-4-(4-methoxyphenyl)-3-methyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium?
6-ethoxy-4-(4-methoxyphenyl)-3-methyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium has a molecular weight of 265.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-(4-methoxyphenyl)-3-methyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium is sourced from PubChem (CID 72956818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).