methyl 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoacetate

C8H10N2O4 — CID 112617370

IUPACmethyl 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1onc(C)c1C
InChIInChI=1S/C8H10N2O4/c1-4-5(2)10-14-7(4)9-6(11)8(12)13-3/h1-3H3,(H,9,11)
InChIKeySUYWVQRCUFYGDY-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.40
Rot. Bonds1

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

methyl 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoacetate (PubChem CID 112617370) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is methyl 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoacetate
PubChem CID112617370
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Namemethyl 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1onc(C)c1C
InChIInChI=1S/C8H10N2O4/c1-4-5(2)10-14-7(4)9-6(11)8(12)13-3/h1-3H3,(H,9,11)
InChIKeySUYWVQRCUFYGDY-UHFFFAOYSA-N
XLogP0.40
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoacetate (CID 112617370) is methyl 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoacetate is COC(=O)C(=O)Nc1onc(C)c1C.
What is the InChIKey of methyl 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoacetate?
The InChIKey is SUYWVQRCUFYGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4-5(2)10-14-7(4)9-6(11)8(12)13-3/h1-3H3,(H,9,11).
What are the key properties of methyl 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoacetate?
methyl 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoacetate has a molecular weight of 198.18 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoacetate is sourced from PubChem (CID 112617370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).