ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate

C14H16N2O4 — CID 44522768

IUPACethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1Nc1ccc(OC)cc1
InChIInChI=1S/C14H16N2O4/c1-4-19-14(17)12-9(2)16-20-13(12)15-10-5-7-11(18-3)8-6-10/h5-8,15H,4H2,1-3H3
InChIKeyMGEXXAISYNTJOA-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.91
Rot. Bonds5

About ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate

ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 44522768) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID44522768
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1Nc1ccc(OC)cc1
InChIInChI=1S/C14H16N2O4/c1-4-19-14(17)12-9(2)16-20-13(12)15-10-5-7-11(18-3)8-6-10/h5-8,15H,4H2,1-3H3
InChIKeyMGEXXAISYNTJOA-UHFFFAOYSA-N
XLogP2.91
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate
CID 70611676
diethyl 2,5-bis(4-methoxyanilino)cyclohexa-1,4-diene-1,4-dicarboxylate
CID 45071499
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20952719
ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851405
ethyl 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 2346898
ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 10103857
ethyl 5-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-3-methyl-1,2-oxazole-4-carboxylate
CID 67530941
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
4-ethoxycarbonyl-3-methyl-1,2-oxazole-5-carboxylic acid
CID 15692965
diethyl 5-[(4-methoxyphenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 10090791
ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate
CID 135372866

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate (CID 44522768) is ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(C)noc1Nc1ccc(OC)cc1.
What is the InChIKey of ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is MGEXXAISYNTJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-4-19-14(17)12-9(2)16-20-13(12)15-10-5-7-11(18-3)8-6-10/h5-8,15H,4H2,1-3H3.
What are the key properties of ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate?
ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 44522768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).