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

C15H17NO4 — CID 104842680

IUPACethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2ccccc2OC)nc1CC
InChIInChI=1S/C15H17NO4/c1-4-11-13(15(17)19-5-2)20-14(16-11)10-8-6-7-9-12(10)18-3/h6-9H,4-5H2,1-3H3
InChIKeyHGXXEWBXXIKUIZ-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.09
Rot. Bonds5

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

ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate (PubChem CID 104842680) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate
PubChem CID104842680
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Nameethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2ccccc2OC)nc1CC
InChIInChI=1S/C15H17NO4/c1-4-11-13(15(17)19-5-2)20-14(16-11)10-8-6-7-9-12(10)18-3/h6-9H,4-5H2,1-3H3
InChIKeyHGXXEWBXXIKUIZ-UHFFFAOYSA-N
XLogP3.09
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate
CID 104842583
ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 114370765
ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate
CID 104842657
diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate
CID 101470287
ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate
CID 114823849
4-ethyl-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 104842369
2-(4-bromo-2-methoxyphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842557
2-hydroxyethyl 2-(2-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate
CID 147326313
ethyl 4-ethyl-2-(3-nitrophenyl)-1,3-oxazole-5-carboxylate
CID 104842760
ethyl 2-(2-methylsulfanylphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371522
ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842772
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110421860

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate (CID 104842680) is ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(-c2ccccc2OC)nc1CC.
What is the InChIKey of ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate?
The InChIKey is HGXXEWBXXIKUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-4-11-13(15(17)19-5-2)20-14(16-11)10-8-6-7-9-12(10)18-3/h6-9H,4-5H2,1-3H3.
What are the key properties of ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate?
ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 3.09, 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-methoxyphenyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 104842680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).