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

C9H7N3O5S — CID 14814739

IUPAC2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
SMILESCOc1cc(-c2csc(NC(=O)C(=O)O)n2)on1
InChIInChI=1S/C9H7N3O5S/c1-16-6-2-5(17-12-6)4-3-18-9(10-4)11-7(13)8(14)15/h2-3H,1H3,(H,14,15)(H,10,11,13)
InChIKeyYZMWYMQYOQMNMK-UHFFFAOYSA-N
MW269.24 g/mol
LogP0.83
Rot. Bonds3

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

2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid (PubChem CID 14814739) has the molecular formula C9H7N3O5S and a molecular weight of 269.24 g/mol. Its IUPAC name is 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
PubChem CID14814739
Molecular FormulaC9H7N3O5S
Molecular Weight269.24 g/mol
Exact Mass269.01
IUPAC Name2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
SMILESCOc1cc(-c2csc(NC(=O)C(=O)O)n2)on1
InChIInChI=1S/C9H7N3O5S/c1-16-6-2-5(17-12-6)4-3-18-9(10-4)11-7(13)8(14)15/h2-3H,1H3,(H,14,15)(H,10,11,13)
InChIKeyYZMWYMQYOQMNMK-UHFFFAOYSA-N
XLogP0.83
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid (CID 14814739) is 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid is COc1cc(-c2csc(NC(=O)C(=O)O)n2)on1.
What is the InChIKey of 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The InChIKey is YZMWYMQYOQMNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O5S/c1-16-6-2-5(17-12-6)4-3-18-9(10-4)11-7(13)8(14)15/h2-3H,1H3,(H,14,15)(H,10,11,13).
What are the key properties of 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid has a molecular weight of 269.24 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid is sourced from PubChem (CID 14814739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).