ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate

C16H19NO4 — CID 104842583

IUPACethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2cc(C)ccc2OC)nc1CC
InChIInChI=1S/C16H19NO4/c1-5-12-14(16(18)20-6-2)21-15(17-12)11-9-10(3)7-8-13(11)19-4/h7-9H,5-6H2,1-4H3
InChIKeyYFMXPMBGRNFCLR-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.40
Rot. Bonds5

About ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate

ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate (PubChem CID 104842583) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate
PubChem CID104842583
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Nameethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2cc(C)ccc2OC)nc1CC
InChIInChI=1S/C16H19NO4/c1-5-12-14(16(18)20-6-2)21-15(17-12)11-9-10(3)7-8-13(11)19-4/h7-9H,5-6H2,1-4H3
InChIKeyYFMXPMBGRNFCLR-UHFFFAOYSA-N
XLogP3.40
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate
CID 104842680
ethyl 5-(2-methoxy-5-methylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619183
ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 114370765
ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate
CID 114823849
ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate
CID 104842657
ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842772
ethyl 3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazole-5-carboxylate
CID 63381782
methyl 2-(2,5-dimethylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371735
4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid
CID 104842478
2-(4-bromo-2-methoxyphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842557
ethyl 4-ethyl-2-(3-nitrophenyl)-1,3-oxazole-5-carboxylate
CID 104842760
ethyl 2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372587

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate (CID 104842583) is ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(-c2cc(C)ccc2OC)nc1CC.
What is the InChIKey of ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate?
The InChIKey is YFMXPMBGRNFCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-5-12-14(16(18)20-6-2)21-15(17-12)11-9-10(3)7-8-13(11)19-4/h7-9H,5-6H2,1-4H3.
What are the key properties of ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate?
ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 104842583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).