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

C11H14N4O3 — CID 114186660

IUPACethyl 5-amino-2-methyl-1-(1,2-oxazol-5-ylmethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(Cc2ccno2)c1N
InChIInChI=1S/C11H14N4O3/c1-3-17-11(16)9-10(12)15(7(2)14-9)6-8-4-5-13-18-8/h4-5H,3,6,12H2,1-2H3
InChIKeyCXSKUMQLUUWJMS-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.99
Rot. Bonds4

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

ethyl 5-amino-2-methyl-1-(1,2-oxazol-5-ylmethyl)imidazole-4-carboxylate (PubChem CID 114186660) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is ethyl 5-amino-2-methyl-1-(1,2-oxazol-5-ylmethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-methyl-1-(1,2-oxazol-5-ylmethyl)imidazole-4-carboxylate
PubChem CID114186660
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Nameethyl 5-amino-2-methyl-1-(1,2-oxazol-5-ylmethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(Cc2ccno2)c1N
InChIInChI=1S/C11H14N4O3/c1-3-17-11(16)9-10(12)15(7(2)14-9)6-8-4-5-13-18-8/h4-5H,3,6,12H2,1-2H3
InChIKeyCXSKUMQLUUWJMS-UHFFFAOYSA-N
XLogP0.99
TPSA96.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-methyl-1-(1,2-oxazol-5-ylmethyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-methyl-1-(1,2-oxazol-5-ylmethyl)imidazole-4-carboxylate (CID 114186660) is ethyl 5-amino-2-methyl-1-(1,2-oxazol-5-ylmethyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-methyl-1-(1,2-oxazol-5-ylmethyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-methyl-1-(1,2-oxazol-5-ylmethyl)imidazole-4-carboxylate is CCOC(=O)c1nc(C)n(Cc2ccno2)c1N.
What is the InChIKey of ethyl 5-amino-2-methyl-1-(1,2-oxazol-5-ylmethyl)imidazole-4-carboxylate?
The InChIKey is CXSKUMQLUUWJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-3-17-11(16)9-10(12)15(7(2)14-9)6-8-4-5-13-18-8/h4-5H,3,6,12H2,1-2H3.
What are the key properties of ethyl 5-amino-2-methyl-1-(1,2-oxazol-5-ylmethyl)imidazole-4-carboxylate?
ethyl 5-amino-2-methyl-1-(1,2-oxazol-5-ylmethyl)imidazole-4-carboxylate has a molecular weight of 250.26 g/mol, XLogP of 0.99, 4 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-5-ylmethyl)imidazole-4-carboxylate is sourced from PubChem (CID 114186660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).