[2-(2-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

C16H17NO5 — CID 8850722

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)c1ccccc1OC
InChIInChI=1S/C16H17NO5/c1-4-12-15(10(2)22-17-12)16(19)21-9-13(18)11-7-5-6-8-14(11)20-3/h5-8H,4,9H2,1-3H3
InChIKeyUESCYXPIGHBSCD-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.59
Rot. Bonds6

About [2-(2-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

[2-(2-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 8850722) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID8850722
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)c1ccccc1OC
InChIInChI=1S/C16H17NO5/c1-4-12-15(10(2)22-17-12)16(19)21-9-13(18)11-7-5-6-8-14(11)20-3/h5-8H,4,9H2,1-3H3
InChIKeyUESCYXPIGHBSCD-UHFFFAOYSA-N
XLogP2.59
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 8850722) is [2-(2-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCc1noc(C)c1C(=O)OCC(=O)c1ccccc1OC.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is UESCYXPIGHBSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-4-12-15(10(2)22-17-12)16(19)21-9-13(18)11-7-5-6-8-14(11)20-3/h5-8H,4,9H2,1-3H3.
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
[2-(2-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 303.31 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 8850722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).