dimethyl 3-phenyl-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

C14H15NO5 — CID 102280768

IUPACdimethyl 3-phenyl-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccccc2)COC1
InChIInChI=1S/C14H15NO5/c1-18-13(16)11-8-20-9-15(12(11)14(17)19-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyCOLMKYNDWANGGQ-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.08
Rot. Bonds3

About dimethyl 3-phenyl-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

dimethyl 3-phenyl-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (PubChem CID 102280768) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is dimethyl 3-phenyl-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-phenyl-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
PubChem CID102280768
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Namedimethyl 3-phenyl-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccccc2)COC1
InChIInChI=1S/C14H15NO5/c1-18-13(16)11-8-20-9-15(12(11)14(17)19-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyCOLMKYNDWANGGQ-UHFFFAOYSA-N
XLogP1.08
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-phenyl-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-phenyl-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (CID 102280768) is dimethyl 3-phenyl-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-phenyl-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-phenyl-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2ccccc2)COC1.
What is the InChIKey of dimethyl 3-phenyl-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The InChIKey is COLMKYNDWANGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-18-13(16)11-8-20-9-15(12(11)14(17)19-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of dimethyl 3-phenyl-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
dimethyl 3-phenyl-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate has a molecular weight of 277.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-phenyl-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is sourced from PubChem (CID 102280768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).