ethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate

C14H15NO4 — CID 113376952

IUPACethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Oc2ccc(C)cc2C)n1
InChIInChI=1S/C14H15NO4/c1-4-17-13(16)11-8-18-14(15-11)19-12-6-5-9(2)7-10(12)3/h5-8H,4H2,1-3H3
InChIKeyLPZWJULVJDRNEB-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.26
Rot. Bonds4

About ethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate

ethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate (PubChem CID 113376952) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate
PubChem CID113376952
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Oc2ccc(C)cc2C)n1
InChIInChI=1S/C14H15NO4/c1-4-17-13(16)11-8-18-14(15-11)19-12-6-5-9(2)7-10(12)3/h5-8H,4H2,1-3H3
InChIKeyLPZWJULVJDRNEB-UHFFFAOYSA-N
XLogP3.26
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-bromo-2-chlorophenoxy)-1,3-oxazole-4-carboxylate
CID 113376969
ethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate
CID 106485684
ethyl 2-(3-amino-5-bromophenoxy)-1,3-oxazole-4-carboxylate
CID 103589113
ethyl 2-[(3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-1,3-oxazole-4-carboxylate
CID 68967253
ethyl 6,8-dimethylquinoline-2-carboxylate
CID 102310352
ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate
CID 103401572
ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 142693900
ethyl 2-methylsulfonyl-1,3-oxazole-4-carboxylate
CID 151928550
ethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate
CID 113395505
ethyl acetate;1-methoxy-2,4-dimethylbenzene
CID 174810221
ethyl 2-amino-4-[(2,4-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851778
ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate
CID 25215536

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate (CID 113376952) is ethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(Oc2ccc(C)cc2C)n1.
What is the InChIKey of ethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate?
The InChIKey is LPZWJULVJDRNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-4-17-13(16)11-8-18-14(15-11)19-12-6-5-9(2)7-10(12)3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate?
ethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113376952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).