ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetate

C10H14N2O4 — CID 2225292

IUPACethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1c(C)noc1C
InChIInChI=1S/C10H14N2O4/c1-4-15-8(13)5-11-10(14)9-6(2)12-16-7(9)3/h4-5H2,1-3H3,(H,11,14)
InChIKeyXTFODDIIHNQDLS-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.58
Rot. Bonds4

About ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetate

ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetate (PubChem CID 2225292) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetate
PubChem CID2225292
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1c(C)noc1C
InChIInChI=1S/C10H14N2O4/c1-4-15-8(13)5-11-10(14)9-6(2)12-16-7(9)3/h4-5H2,1-3H3,(H,11,14)
InChIKeyXTFODDIIHNQDLS-UHFFFAOYSA-N
XLogP0.58
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetate (CID 2225292) is ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1c(C)noc1C.
What is the InChIKey of ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetate?
The InChIKey is XTFODDIIHNQDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-4-15-8(13)5-11-10(14)9-6(2)12-16-7(9)3/h4-5H2,1-3H3,(H,11,14).
What are the key properties of ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetate?
ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetate has a molecular weight of 226.23 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 2225292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).