methyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate

C13H18N4O3 — CID 106376263

IUPACmethyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1Cc1nc(C)c(C)o1
InChIInChI=1S/C13H18N4O3/c1-5-9-16-11(13(18)19-4)12(14)17(9)6-10-15-7(2)8(3)20-10/h5-6,14H2,1-4H3
InChIKeyYYQUFOGLUXSJLL-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.47
Rot. Bonds4

About methyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate

methyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate (PubChem CID 106376263) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate
PubChem CID106376263
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Namemethyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1Cc1nc(C)c(C)o1
InChIInChI=1S/C13H18N4O3/c1-5-9-16-11(13(18)19-4)12(14)17(9)6-10-15-7(2)8(3)20-10/h5-6,14H2,1-4H3
InChIKeyYYQUFOGLUXSJLL-UHFFFAOYSA-N
XLogP1.47
TPSA96.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate
CID 103545625
methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate
CID 103544322
methyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate
CID 103545137
methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 103544613
methyl 5-amino-2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazole-4-carboxylate
CID 106302530
methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate
CID 103544856
methyl 5-amino-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)imidazole-4-carboxylate
CID 106294832
methyl 5-amino-2-ethyl-1-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxylate
CID 103546091
methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate
CID 103546145
methyl 5-amino-2-ethyl-1-(3-methylsulfanylbutyl)imidazole-4-carboxylate
CID 103546188
methyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate
CID 103545998
methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate
CID 103544811

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate (CID 106376263) is methyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1Cc1nc(C)c(C)o1.
What is the InChIKey of methyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate?
The InChIKey is YYQUFOGLUXSJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-5-9-16-11(13(18)19-4)12(14)17(9)6-10-15-7(2)8(3)20-10/h5-6,14H2,1-4H3.
What are the key properties of methyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate?
methyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate is sourced from PubChem (CID 106376263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).