2-methoxy-N-[[5-(1-methylimidazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine

C11H16N4O2 — CID 107975816

IUPAC2-methoxy-N-[[5-(1-methylimidazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1ncc(-c2cn(C)cn2)o1
InChIInChI=1S/C11H16N4O2/c1-15-7-9(14-8-15)10-5-13-11(17-10)6-12-3-4-16-2/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeySRNYEGJGIURMAK-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.81
Rot. Bonds6

About 2-methoxy-N-[[5-(1-methylimidazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine

2-methoxy-N-[[5-(1-methylimidazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 107975816) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-methoxy-N-[[5-(1-methylimidazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-(1-methylimidazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID107975816
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2-methoxy-N-[[5-(1-methylimidazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1ncc(-c2cn(C)cn2)o1
InChIInChI=1S/C11H16N4O2/c1-15-7-9(14-8-15)10-5-13-11(17-10)6-12-3-4-16-2/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeySRNYEGJGIURMAK-UHFFFAOYSA-N
XLogP0.81
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(3,5-dibromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 107975815
2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 65181879
N-[[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 65181474
N-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 65181215
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine
CID 60765583
N-[[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 81478772
N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 115370252
2-methoxy-N-[[5-(3-nitrophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65181972
2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65181973
N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 65181372
2-methoxy-N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 66478464
2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 113382250

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-(1-methylimidazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-(1-methylimidazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 107975816) is 2-methoxy-N-[[5-(1-methylimidazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-(1-methylimidazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-(1-methylimidazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine is COCCNCc1ncc(-c2cn(C)cn2)o1.
What is the InChIKey of 2-methoxy-N-[[5-(1-methylimidazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is SRNYEGJGIURMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15-7-9(14-8-15)10-5-13-11(17-10)6-12-3-4-16-2/h5,7-8,12H,3-4,6H2,1-2H3.
What are the key properties of 2-methoxy-N-[[5-(1-methylimidazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
2-methoxy-N-[[5-(1-methylimidazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 236.28 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-(1-methylimidazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 107975816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).