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

C17H20N2O6 — CID 2479525

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2cc(C)on2)cc1OCC
InChIInChI=1S/C17H20N2O6/c1-4-22-13-7-6-12(9-14(13)23-5-2)17(21)24-10-16(20)18-15-8-11(3)25-19-15/h6-9H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyDGIXGIISUHFSPW-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.58
Rot. Bonds8

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

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate (PubChem CID 2479525) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
PubChem CID2479525
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2cc(C)on2)cc1OCC
InChIInChI=1S/C17H20N2O6/c1-4-22-13-7-6-12(9-14(13)23-5-2)17(21)24-10-16(20)18-15-8-11(3)25-19-15/h6-9H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyDGIXGIISUHFSPW-UHFFFAOYSA-N
XLogP2.58
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.58
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] 3,4-diethoxybenzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate (CID 2479525) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)Nc2cc(C)on2)cc1OCC.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate?
The InChIKey is DGIXGIISUHFSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6/c1-4-22-13-7-6-12(9-14(13)23-5-2)17(21)24-10-16(20)18-15-8-11(3)25-19-15/h6-9H,4-5,10H2,1-3H3,(H,18,19,20).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate has a molecular weight of 348.36 g/mol, XLogP of 2.58, 8 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] 3,4-diethoxybenzoate is sourced from PubChem (CID 2479525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).