ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate

C14H18BrN3O6 — CID 159620918

IUPACethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)oc1Br.CCOC(=O)c1nc(C)oc1N
InChIInChI=1S/C7H8BrNO3.C7H10N2O3/c2*1-3-11-7(10)5-6(8)12-4(2)9-5/h3H2,1-2H3;3,8H2,1-2H3
InChIKeyMNWKLFAALZHVOX-UHFFFAOYSA-N
MW404.22 g/mol
LogP2.66
Rot. Bonds4

About ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate

ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate (PubChem CID 159620918) has the molecular formula C14H18BrN3O6 and a molecular weight of 404.22 g/mol. Its IUPAC name is ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate
PubChem CID159620918
Molecular FormulaC14H18BrN3O6
Molecular Weight404.22 g/mol
Exact Mass403.04
IUPAC Nameethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)oc1Br.CCOC(=O)c1nc(C)oc1N
InChIInChI=1S/C7H8BrNO3.C7H10N2O3/c2*1-3-11-7(10)5-6(8)12-4(2)9-5/h3H2,1-2H3;3,8H2,1-2H3
InChIKeyMNWKLFAALZHVOX-UHFFFAOYSA-N
XLogP2.66
TPSA130.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate
CID 68802765
5-bromo-2-methyl-1,3-oxazole-4-carboxamide
CID 59587437
ethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate
CID 139763006
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
CID 163295222
ethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
CID 66126518
ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 66008471
ethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
CID 66009506
ethyl 4-acetyl-5-bromo-1,2-oxazole-3-carboxylate
CID 70451486
ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 66007439
ethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate
CID 66008266
ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate
CID 105441043

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate (CID 159620918) is ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(C)oc1Br.CCOC(=O)c1nc(C)oc1N.
What is the InChIKey of ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is MNWKLFAALZHVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO3.C7H10N2O3/c2*1-3-11-7(10)5-6(8)12-4(2)9-5/h3H2,1-2H3;3,8H2,1-2H3.
What are the key properties of ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate?
ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 404.22 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 159620918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).