ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,6-dimethylpyridine-3-carboxylate

C15H20N2O3 — CID 15271344

IUPACethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C2=NC(C)(C)CO2)c(C)nc1C
InChIInChI=1S/C15H20N2O3/c1-6-19-14(18)12-7-11(9(2)16-10(12)3)13-17-15(4,5)8-20-13/h7H,6,8H2,1-5H3
InChIKeyFEMJHJYWKGLOKW-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.43
Rot. Bonds3

About ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,6-dimethylpyridine-3-carboxylate

ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,6-dimethylpyridine-3-carboxylate (PubChem CID 15271344) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,6-dimethylpyridine-3-carboxylate
PubChem CID15271344
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C2=NC(C)(C)CO2)c(C)nc1C
InChIInChI=1S/C15H20N2O3/c1-6-19-14(18)12-7-11(9(2)16-10(12)3)13-17-15(4,5)8-20-13/h7H,6,8H2,1-5H3
InChIKeyFEMJHJYWKGLOKW-UHFFFAOYSA-N
XLogP2.43
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,6-dimethylpyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate
CID 112561934
ethyl 5,6-diamino-2-methylpyridine-3-carboxylate
CID 170959467
ethyl 5-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,6-dimethylpyridine-3-carboxylate
CID 139072856
ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
CID 746246
ethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate
CID 4788349
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
[(5-ethoxycarbonyl-2,6-dimethylpyridine-3-carbonyl)amino]carbamodithioic acid
CID 21238993
ethyl 7-methyl-2,3,4a,5,10,10a-hexahydro-[1,4]dioxino[2,3-g]quinoline-8-carboxylate
CID 70226520
ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
CID 2360945
ethyl 6-bromo-3-methylpyridazine-4-carboxylate
CID 162520168
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 2-cyclopropyl-5-ethyl-6-methylpyridine-3-carboxylate
CID 116533608

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,6-dimethylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,6-dimethylpyridine-3-carboxylate (CID 15271344) is ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,6-dimethylpyridine-3-carboxylate is CCOC(=O)c1cc(C2=NC(C)(C)CO2)c(C)nc1C.
What is the InChIKey of ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,6-dimethylpyridine-3-carboxylate?
The InChIKey is FEMJHJYWKGLOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-6-19-14(18)12-7-11(9(2)16-10(12)3)13-17-15(4,5)8-20-13/h7H,6,8H2,1-5H3.
What are the key properties of ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,6-dimethylpyridine-3-carboxylate?
ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,6-dimethylpyridine-3-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 15271344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).