dimethyl 3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

C19H22FNO7 — CID 168634682

IUPACdimethyl 3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2cc(F)ccc2OCC2CCCO2)COC1
InChIInChI=1S/C19H22FNO7/c1-24-18(22)14-10-26-11-21(17(14)19(23)25-2)15-8-12(20)5-6-16(15)28-9-13-4-3-7-27-13/h5-6,8,13H,3-4,7,9-11H2,1-2H3
InChIKeyUWPYNROBHNLKON-UHFFFAOYSA-N
MW395.38 g/mol
LogP1.78
Rot. Bonds6

About dimethyl 3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

dimethyl 3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (PubChem CID 168634682) has the molecular formula C19H22FNO7 and a molecular weight of 395.38 g/mol. Its IUPAC name is dimethyl 3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
PubChem CID168634682
Molecular FormulaC19H22FNO7
Molecular Weight395.38 g/mol
Exact Mass395.14
IUPAC Namedimethyl 3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2cc(F)ccc2OCC2CCCO2)COC1
InChIInChI=1S/C19H22FNO7/c1-24-18(22)14-10-26-11-21(17(14)19(23)25-2)15-8-12(20)5-6-16(15)28-9-13-4-3-7-27-13/h5-6,8,13H,3-4,7,9-11H2,1-2H3
InChIKeyUWPYNROBHNLKON-UHFFFAOYSA-N
XLogP1.78
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze dimethyl 3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate with MolForge

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Related Compounds

dimethyl 3-[5-fluoro-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168634879
dimethyl 3-(2-cyclohexyloxy-5-fluorophenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633894
dimethyl 3-(4-fluoro-2-formylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168634660
dimethyl 3-[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168634073
dimethyl 3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633804
dimethyl 3-(2-chloro-3,5-difluorophenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631847
dimethyl 3-(2-bromo-3,5-difluorophenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631811
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
dimethyl 3-(4-methoxycarbonyl-2-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168600780
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-1-carboxamide
CID 95616338
dimethyl 3-[4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168634958
1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone
CID 97332544

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (CID 168634682) is dimethyl 3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2cc(F)ccc2OCC2CCCO2)COC1.
What is the InChIKey of dimethyl 3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The InChIKey is UWPYNROBHNLKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO7/c1-24-18(22)14-10-26-11-21(17(14)19(23)25-2)15-8-12(20)5-6-16(15)28-9-13-4-3-7-27-13/h5-6,8,13H,3-4,7,9-11H2,1-2H3.
What are the key properties of dimethyl 3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
dimethyl 3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate has a molecular weight of 395.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is sourced from PubChem (CID 168634682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).