dimethyl 3-(2-chloro-4-pyridin-3-yloxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

C19H17ClN2O6 — CID 168635292

IUPACdimethyl 3-(2-chloro-4-pyridin-3-yloxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccc(Oc3cccnc3)cc2Cl)COC1
InChIInChI=1S/C19H17ClN2O6/c1-25-18(23)14-10-27-11-22(17(14)19(24)26-2)16-6-5-12(8-15(16)20)28-13-4-3-7-21-9-13/h3-9H,10-11H2,1-2H3
InChIKeyFGINLNSUPWJCOE-UHFFFAOYSA-N
MW404.81 g/mol
LogP2.92
Rot. Bonds5

About dimethyl 3-(2-chloro-4-pyridin-3-yloxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

dimethyl 3-(2-chloro-4-pyridin-3-yloxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (PubChem CID 168635292) has the molecular formula C19H17ClN2O6 and a molecular weight of 404.81 g/mol. Its IUPAC name is dimethyl 3-(2-chloro-4-pyridin-3-yloxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(2-chloro-4-pyridin-3-yloxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
PubChem CID168635292
Molecular FormulaC19H17ClN2O6
Molecular Weight404.81 g/mol
Exact Mass404.08
IUPAC Namedimethyl 3-(2-chloro-4-pyridin-3-yloxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccc(Oc3cccnc3)cc2Cl)COC1
InChIInChI=1S/C19H17ClN2O6/c1-25-18(23)14-10-27-11-22(17(14)19(24)26-2)16-6-5-12(8-15(16)20)28-13-4-3-7-21-9-13/h3-9H,10-11H2,1-2H3
InChIKeyFGINLNSUPWJCOE-UHFFFAOYSA-N
XLogP2.92
TPSA87.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.81
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze dimethyl 3-(2-chloro-4-pyridin-3-yloxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate with MolForge

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Related Compounds

dimethyl 3-(3,4-dichloro-2-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632806
8-[4,5-bis(methoxycarbonyl)-2,6-dihydro-1,3-oxazin-3-yl]isoquinoline-5-carboxylic acid
CID 168635233
dimethyl 3-(3-chloro-4-pyrrolidin-1-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633100
dimethyl 3-(3-chloro-4-piperidin-1-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168634561
dimethyl 3-(5-chloro-2-hydroxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635905
dimethyl 3-(5-chloro-2-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168600790
dimethyl 3-(4-methoxycarbonyl-2-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168600780
dimethyl 3-(4-chloro-3-methoxycarbonylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631595
dimethyl 3-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633310
dimethyl 3-(4,5-dichloro-2-cyanophenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635617
dimethyl 3-(2-chloro-5-nitrophenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635945
dimethyl 3-[2-bromo-4-(difluoromethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631888

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(2-chloro-4-pyridin-3-yloxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-(2-chloro-4-pyridin-3-yloxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (CID 168635292) is dimethyl 3-(2-chloro-4-pyridin-3-yloxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-(2-chloro-4-pyridin-3-yloxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-(2-chloro-4-pyridin-3-yloxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2ccc(Oc3cccnc3)cc2Cl)COC1.
What is the InChIKey of dimethyl 3-(2-chloro-4-pyridin-3-yloxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The InChIKey is FGINLNSUPWJCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O6/c1-25-18(23)14-10-27-11-22(17(14)19(24)26-2)16-6-5-12(8-15(16)20)28-13-4-3-7-21-9-13/h3-9H,10-11H2,1-2H3.
What are the key properties of dimethyl 3-(2-chloro-4-pyridin-3-yloxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
dimethyl 3-(2-chloro-4-pyridin-3-yloxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate has a molecular weight of 404.81 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(2-chloro-4-pyridin-3-yloxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is sourced from PubChem (CID 168635292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).