ethyl 2-methyl-3-(2-methylphenyl)-6-oxo-2H-1,3-oxazine-4-carboxylate

C15H17NO4 — CID 135038007

IUPACethyl 2-methyl-3-(2-methylphenyl)-6-oxo-2H-1,3-oxazine-4-carboxylate
SMILESCCOC(=O)C1=CC(=O)OC(C)N1c1ccccc1C
InChIInChI=1S/C15H17NO4/c1-4-19-15(18)13-9-14(17)20-11(3)16(13)12-8-6-5-7-10(12)2/h5-9,11H,4H2,1-3H3
InChIKeyHEOBTRIJXIHRHW-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.15
Rot. Bonds3

About ethyl 2-methyl-3-(2-methylphenyl)-6-oxo-2H-1,3-oxazine-4-carboxylate

ethyl 2-methyl-3-(2-methylphenyl)-6-oxo-2H-1,3-oxazine-4-carboxylate (PubChem CID 135038007) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl 2-methyl-3-(2-methylphenyl)-6-oxo-2H-1,3-oxazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-3-(2-methylphenyl)-6-oxo-2H-1,3-oxazine-4-carboxylate
PubChem CID135038007
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Nameethyl 2-methyl-3-(2-methylphenyl)-6-oxo-2H-1,3-oxazine-4-carboxylate
SMILESCCOC(=O)C1=CC(=O)OC(C)N1c1ccccc1C
InChIInChI=1S/C15H17NO4/c1-4-19-15(18)13-9-14(17)20-11(3)16(13)12-8-6-5-7-10(12)2/h5-9,11H,4H2,1-3H3
InChIKeyHEOBTRIJXIHRHW-UHFFFAOYSA-N
XLogP2.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-(2-methylphenyl)-6-oxo-2H-1,3-oxazine-4-carboxylate?
The IUPAC name of ethyl 2-methyl-3-(2-methylphenyl)-6-oxo-2H-1,3-oxazine-4-carboxylate (CID 135038007) is ethyl 2-methyl-3-(2-methylphenyl)-6-oxo-2H-1,3-oxazine-4-carboxylate.
What is the SMILES notation for ethyl 2-methyl-3-(2-methylphenyl)-6-oxo-2H-1,3-oxazine-4-carboxylate?
The canonical SMILES for ethyl 2-methyl-3-(2-methylphenyl)-6-oxo-2H-1,3-oxazine-4-carboxylate is CCOC(=O)C1=CC(=O)OC(C)N1c1ccccc1C.
What is the InChIKey of ethyl 2-methyl-3-(2-methylphenyl)-6-oxo-2H-1,3-oxazine-4-carboxylate?
The InChIKey is HEOBTRIJXIHRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-4-19-15(18)13-9-14(17)20-11(3)16(13)12-8-6-5-7-10(12)2/h5-9,11H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-3-(2-methylphenyl)-6-oxo-2H-1,3-oxazine-4-carboxylate?
ethyl 2-methyl-3-(2-methylphenyl)-6-oxo-2H-1,3-oxazine-4-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-(2-methylphenyl)-6-oxo-2H-1,3-oxazine-4-carboxylate is sourced from PubChem (CID 135038007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).