ethyl 5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-methyl-1,3-oxazole-4-carboxylate

C13H20N2O5 — CID 68802671

IUPACethyl 5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)oc1C(N)C(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O5/c1-6-18-12(17)9-10(19-7(2)15-9)8(14)11(16)20-13(3,4)5/h8H,6,14H2,1-5H3
InChIKeyGGGUGIOTOCGDQZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.50
Rot. Bonds4

About ethyl 5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-methyl-1,3-oxazole-4-carboxylate

ethyl 5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-methyl-1,3-oxazole-4-carboxylate (PubChem CID 68802671) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl 5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-methyl-1,3-oxazole-4-carboxylate
PubChem CID68802671
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Nameethyl 5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)oc1C(N)C(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O5/c1-6-18-12(17)9-10(19-7(2)15-9)8(14)11(16)20-13(3,4)5/h8H,6,14H2,1-5H3
InChIKeyGGGUGIOTOCGDQZ-UHFFFAOYSA-N
XLogP1.50
TPSA104.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-methyl-1,3-oxazole-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate
CID 68802765
ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
CID 163295222
diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate
CID 10513471
ethyl 2-(2,5-dimethyl-1,3-oxazol-4-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 10911923
ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate
CID 159620918
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
CID 4712684
ethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
CID 52911130
ethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate
CID 101389640
ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 57434498
ethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate
CID 139763006
ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-triazole-4-carboxylate
CID 103121222

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-methyl-1,3-oxazole-4-carboxylate (CID 68802671) is ethyl 5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-methyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(C)oc1C(N)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is GGGUGIOTOCGDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-6-18-12(17)9-10(19-7(2)15-9)8(14)11(16)20-13(3,4)5/h8H,6,14H2,1-5H3.
What are the key properties of ethyl 5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-methyl-1,3-oxazole-4-carboxylate?
ethyl 5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 68802671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).