ethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate

C10H11N3O4 — CID 66008266

IUPACethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cc(C)no2)oc1N
InChIInChI=1S/C10H11N3O4/c1-3-15-10(14)7-8(11)16-9(12-7)6-4-5(2)13-17-6/h4H,3,11H2,1-2H3
InChIKeySEQMBONQBZVZIR-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.40
Rot. Bonds3

About ethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate

ethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate (PubChem CID 66008266) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is ethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate
PubChem CID66008266
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Nameethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cc(C)no2)oc1N
InChIInChI=1S/C10H11N3O4/c1-3-15-10(14)7-8(11)16-9(12-7)6-4-5(2)13-17-6/h4H,3,11H2,1-2H3
InChIKeySEQMBONQBZVZIR-UHFFFAOYSA-N
XLogP1.40
TPSA104.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
CID 66126518
ethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
CID 66009506
ethyl 5-amino-2-(2,5-dichlorothiophen-3-yl)-1,3-oxazole-4-carboxylate
CID 107967052
ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 66008471
ethyl 5-amino-2-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxylate
CID 66010372
ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
CID 66007853
ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 66007439
ethyl 5-amino-2-(3-chloro-2-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 81262078
ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate
CID 105441043
ethyl 5-amino-4-methyl-1,2-oxazole-3-carboxylate
CID 68805787
ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate
CID 159620918
4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid
CID 114374014

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate (CID 66008266) is ethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2cc(C)no2)oc1N.
What is the InChIKey of ethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is SEQMBONQBZVZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-3-15-10(14)7-8(11)16-9(12-7)6-4-5(2)13-17-6/h4H,3,11H2,1-2H3.
What are the key properties of ethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate?
ethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 237.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 66008266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).