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

C15H21N3O3 — CID 103545187

IUPACmethyl 5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylimidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1C(C)c1cc(C)oc1C
InChIInChI=1S/C15H21N3O3/c1-6-12-17-13(15(19)20-5)14(16)18(12)9(3)11-7-8(2)21-10(11)4/h7,9H,6,16H2,1-5H3
InChIKeyFEYSWNFUSSWUAG-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.63
Rot. Bonds4

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

methyl 5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylimidazole-4-carboxylate (PubChem CID 103545187) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylimidazole-4-carboxylate
PubChem CID103545187
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Namemethyl 5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylimidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1C(C)c1cc(C)oc1C
InChIInChI=1S/C15H21N3O3/c1-6-12-17-13(15(19)20-5)14(16)18(12)9(3)11-7-8(2)21-10(11)4/h7,9H,6,16H2,1-5H3
InChIKeyFEYSWNFUSSWUAG-UHFFFAOYSA-N
XLogP2.63
TPSA83.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-2-ethyl-1-[1-(4-methylphenyl)ethyl]imidazole-4-carboxylate
CID 103545065
methyl 5-amino-1-[1-(4-chlorophenyl)ethyl]-2-ethylimidazole-4-carboxylate
CID 103544994
methyl 5-amino-1-[1-(4-bromophenyl)ethyl]-2-ethylimidazole-4-carboxylate
CID 103545043
methyl 5-amino-1-[1-(3-chlorophenyl)ethyl]-2-ethylimidazole-4-carboxylate
CID 103545026
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine
CID 62508571
methyl 5-amino-2-ethyl-1-(1-phenylpropan-2-yl)imidazole-4-carboxylate
CID 103545438
methyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate
CID 106376263
methyl 5-amino-1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylimidazole-4-carboxylate
CID 103544952
methyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate
CID 103546234
ethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate
CID 62844226
methyl 5-amino-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103544272
methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate
CID 103544227

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylimidazole-4-carboxylate (CID 103545187) is methyl 5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylimidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1C(C)c1cc(C)oc1C.
What is the InChIKey of methyl 5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylimidazole-4-carboxylate?
The InChIKey is FEYSWNFUSSWUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-6-12-17-13(15(19)20-5)14(16)18(12)9(3)11-7-8(2)21-10(11)4/h7,9H,6,16H2,1-5H3.
What are the key properties of methyl 5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylimidazole-4-carboxylate?
methyl 5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylimidazole-4-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylimidazole-4-carboxylate is sourced from PubChem (CID 103545187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).