methyl 5-amino-3-(3,4,5-triethoxyphenyl)-1,2-oxazole-4-carboxylate

C17H22N2O6 — CID 3242551

IUPACmethyl 5-amino-3-(3,4,5-triethoxyphenyl)-1,2-oxazole-4-carboxylate
SMILESCCOc1cc(-c2noc(N)c2C(=O)OC)cc(OCC)c1OCC
InChIInChI=1S/C17H22N2O6/c1-5-22-11-8-10(9-12(23-6-2)15(11)24-7-3)14-13(17(20)21-4)16(18)25-19-14/h8-9H,5-7,18H2,1-4H3
InChIKeyXZQDLVURIRAXAL-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.91
Rot. Bonds8

About methyl 5-amino-3-(3,4,5-triethoxyphenyl)-1,2-oxazole-4-carboxylate

methyl 5-amino-3-(3,4,5-triethoxyphenyl)-1,2-oxazole-4-carboxylate (PubChem CID 3242551) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 5-amino-3-(3,4,5-triethoxyphenyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-(3,4,5-triethoxyphenyl)-1,2-oxazole-4-carboxylate
PubChem CID3242551
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Namemethyl 5-amino-3-(3,4,5-triethoxyphenyl)-1,2-oxazole-4-carboxylate
SMILESCCOc1cc(-c2noc(N)c2C(=O)OC)cc(OCC)c1OCC
InChIInChI=1S/C17H22N2O6/c1-5-22-11-8-10(9-12(23-6-2)15(11)24-7-3)14-13(17(20)21-4)16(18)25-19-14/h8-9H,5-7,18H2,1-4H3
InChIKeyXZQDLVURIRAXAL-UHFFFAOYSA-N
XLogP2.91
TPSA106.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-(3,4,5-triethoxyphenyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-(3,4,5-triethoxyphenyl)-1,2-oxazole-4-carboxylate (CID 3242551) is methyl 5-amino-3-(3,4,5-triethoxyphenyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-(3,4,5-triethoxyphenyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-(3,4,5-triethoxyphenyl)-1,2-oxazole-4-carboxylate is CCOc1cc(-c2noc(N)c2C(=O)OC)cc(OCC)c1OCC.
What is the InChIKey of methyl 5-amino-3-(3,4,5-triethoxyphenyl)-1,2-oxazole-4-carboxylate?
The InChIKey is XZQDLVURIRAXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-5-22-11-8-10(9-12(23-6-2)15(11)24-7-3)14-13(17(20)21-4)16(18)25-19-14/h8-9H,5-7,18H2,1-4H3.
What are the key properties of methyl 5-amino-3-(3,4,5-triethoxyphenyl)-1,2-oxazole-4-carboxylate?
methyl 5-amino-3-(3,4,5-triethoxyphenyl)-1,2-oxazole-4-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-(3,4,5-triethoxyphenyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 3242551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).