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

C17H20N2O5 — CID 7660582

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1c(CC)noc1C
InChIInChI=1S/C17H20N2O5/c1-4-12-16(11(3)24-19-12)17(21)23-10-15(20)18-13-8-6-7-9-14(13)22-5-2/h6-9H,4-5,10H2,1-3H3,(H,18,20)
InChIKeyUAOYDINVBYXPDK-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.74
Rot. Bonds7

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

[2-(2-ethoxyanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 7660582) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID7660582
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1c(CC)noc1C
InChIInChI=1S/C17H20N2O5/c1-4-12-16(11(3)24-19-12)17(21)23-10-15(20)18-13-8-6-7-9-14(13)22-5-2/h6-9H,4-5,10H2,1-3H3,(H,18,20)
InChIKeyUAOYDINVBYXPDK-UHFFFAOYSA-N
XLogP2.74
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 7660582) is [2-(2-ethoxyanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCOc1ccccc1NC(=O)COC(=O)c1c(CC)noc1C.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is UAOYDINVBYXPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-4-12-16(11(3)24-19-12)17(21)23-10-15(20)18-13-8-6-7-9-14(13)22-5-2/h6-9H,4-5,10H2,1-3H3,(H,18,20).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
[2-(2-ethoxyanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7660582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).