2-ethoxyethyl 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate

C13H15N3O6S — CID 14814718

IUPAC2-ethoxyethyl 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
SMILESCCOCCOC(=O)C(=O)Nc1nc(-c2cc(OC)no2)cs1
InChIInChI=1S/C13H15N3O6S/c1-3-20-4-5-21-12(18)11(17)15-13-14-8(7-23-13)9-6-10(19-2)16-22-9/h6-7H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyMQNPIXBEACITAD-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.32
Rot. Bonds7

About 2-ethoxyethyl 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate

2-ethoxyethyl 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate (PubChem CID 14814718) has the molecular formula C13H15N3O6S and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-ethoxyethyl 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Name2-ethoxyethyl 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
PubChem CID14814718
Molecular FormulaC13H15N3O6S
Molecular Weight341.35 g/mol
Exact Mass341.07
IUPAC Name2-ethoxyethyl 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
SMILESCCOCCOC(=O)C(=O)Nc1nc(-c2cc(OC)no2)cs1
InChIInChI=1S/C13H15N3O6S/c1-3-20-4-5-21-12(18)11(17)15-13-14-8(7-23-13)9-6-10(19-2)16-22-9/h6-7H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyMQNPIXBEACITAD-UHFFFAOYSA-N
XLogP1.32
TPSA112.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The IUPAC name of 2-ethoxyethyl 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate (CID 14814718) is 2-ethoxyethyl 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate.
What is the SMILES notation for 2-ethoxyethyl 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The canonical SMILES for 2-ethoxyethyl 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate is CCOCCOC(=O)C(=O)Nc1nc(-c2cc(OC)no2)cs1.
What is the InChIKey of 2-ethoxyethyl 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The InChIKey is MQNPIXBEACITAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O6S/c1-3-20-4-5-21-12(18)11(17)15-13-14-8(7-23-13)9-6-10(19-2)16-22-9/h6-7H,3-5H2,1-2H3,(H,14,15,17).
What are the key properties of 2-ethoxyethyl 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
2-ethoxyethyl 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate has a molecular weight of 341.35 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate is sourced from PubChem (CID 14814718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).