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

C10H12N4O3 — CID 62913975

IUPACethyl 5-amino-2-methyl-1-(1,2-oxazol-4-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(-c2cnoc2)c1N
InChIInChI=1S/C10H12N4O3/c1-3-16-10(15)8-9(11)14(6(2)13-8)7-4-12-17-5-7/h4-5H,3,11H2,1-2H3
InChIKeyKHRTXMGZJGGAND-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.93
Rot. Bonds3

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

ethyl 5-amino-2-methyl-1-(1,2-oxazol-4-yl)imidazole-4-carboxylate (PubChem CID 62913975) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is ethyl 5-amino-2-methyl-1-(1,2-oxazol-4-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-methyl-1-(1,2-oxazol-4-yl)imidazole-4-carboxylate
PubChem CID62913975
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Nameethyl 5-amino-2-methyl-1-(1,2-oxazol-4-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(-c2cnoc2)c1N
InChIInChI=1S/C10H12N4O3/c1-3-16-10(15)8-9(11)14(6(2)13-8)7-4-12-17-5-7/h4-5H,3,11H2,1-2H3
InChIKeyKHRTXMGZJGGAND-UHFFFAOYSA-N
XLogP0.93
TPSA96.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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ethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate
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ethyl 5-amino-1-(3-ethylpentan-3-yl)-2-methylimidazole-4-carboxylate
CID 65038959
ethyl 5-amino-2-methyl-1-(1,2-oxazol-5-ylmethyl)imidazole-4-carboxylate
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methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate
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methyl 5-amino-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-methyl-1-(1,2-oxazol-4-yl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-methyl-1-(1,2-oxazol-4-yl)imidazole-4-carboxylate (CID 62913975) is ethyl 5-amino-2-methyl-1-(1,2-oxazol-4-yl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-methyl-1-(1,2-oxazol-4-yl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-methyl-1-(1,2-oxazol-4-yl)imidazole-4-carboxylate is CCOC(=O)c1nc(C)n(-c2cnoc2)c1N.
What is the InChIKey of ethyl 5-amino-2-methyl-1-(1,2-oxazol-4-yl)imidazole-4-carboxylate?
The InChIKey is KHRTXMGZJGGAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-3-16-10(15)8-9(11)14(6(2)13-8)7-4-12-17-5-7/h4-5H,3,11H2,1-2H3.
What are the key properties of ethyl 5-amino-2-methyl-1-(1,2-oxazol-4-yl)imidazole-4-carboxylate?
ethyl 5-amino-2-methyl-1-(1,2-oxazol-4-yl)imidazole-4-carboxylate has a molecular weight of 236.23 g/mol, XLogP of 0.93, 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-methyl-1-(1,2-oxazol-4-yl)imidazole-4-carboxylate is sourced from PubChem (CID 62913975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).