[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate

C19H24N2O6 — CID 2126204

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
SMILESCCOc1cc(C(=O)OCC(=O)Nc2cc(C)on2)ccc1OCC(C)C
InChIInChI=1S/C19H24N2O6/c1-5-24-16-9-14(6-7-15(16)25-10-12(2)3)19(23)26-11-18(22)20-17-8-13(4)27-21-17/h6-9,12H,5,10-11H2,1-4H3,(H,20,21,22)
InChIKeyVPMGZHUNJCFTED-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.21
Rot. Bonds9

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate (PubChem CID 2126204) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
PubChem CID2126204
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
SMILESCCOc1cc(C(=O)OCC(=O)Nc2cc(C)on2)ccc1OCC(C)C
InChIInChI=1S/C19H24N2O6/c1-5-24-16-9-14(6-7-15(16)25-10-12(2)3)19(23)26-11-18(22)20-17-8-13(4)27-21-17/h6-9,12H,5,10-11H2,1-4H3,(H,20,21,22)
InChIKeyVPMGZHUNJCFTED-UHFFFAOYSA-N
XLogP3.21
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate (CID 2126204) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate is CCOc1cc(C(=O)OCC(=O)Nc2cc(C)on2)ccc1OCC(C)C.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate?
The InChIKey is VPMGZHUNJCFTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-5-24-16-9-14(6-7-15(16)25-10-12(2)3)19(23)26-11-18(22)20-17-8-13(4)27-21-17/h6-9,12H,5,10-11H2,1-4H3,(H,20,21,22).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate has a molecular weight of 376.41 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate is sourced from PubChem (CID 2126204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).