2-methoxy-N-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine

C13H21N5O2 — CID 106720422

IUPAC2-methoxy-N-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCCCc1nc(Cn2cnc(CNCCOC)c2)no1
InChIInChI=1S/C13H21N5O2/c1-3-4-13-16-12(17-20-13)9-18-8-11(15-10-18)7-14-5-6-19-2/h8,10,14H,3-7,9H2,1-2H3
InChIKeyGLTWCYRSRZQKEK-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.00
Rot. Bonds9

About 2-methoxy-N-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine

2-methoxy-N-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine (PubChem CID 106720422) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
PubChem CID106720422
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-methoxy-N-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCCCc1nc(Cn2cnc(CNCCOC)c2)no1
InChIInChI=1S/C13H21N5O2/c1-3-4-13-16-12(17-20-13)9-18-8-11(15-10-18)7-14-5-6-19-2/h8,10,14H,3-7,9H2,1-2H3
InChIKeyGLTWCYRSRZQKEK-UHFFFAOYSA-N
XLogP1.00
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719161
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719205
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720459
N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719021
2-methoxy-N-[[1-(thiophen-2-ylmethyl)imidazol-4-yl]methyl]ethanamine
CID 106720472
2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 114204437
2-methoxy-N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720446
N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720417
N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 106718702
2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720594
2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720538
2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 106720568

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine (CID 106720422) is 2-methoxy-N-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine is CCCc1nc(Cn2cnc(CNCCOC)c2)no1.
What is the InChIKey of 2-methoxy-N-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The InChIKey is GLTWCYRSRZQKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-4-13-16-12(17-20-13)9-18-8-11(15-10-18)7-14-5-6-19-2/h8,10,14H,3-7,9H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine has a molecular weight of 279.34 g/mol, XLogP of 1.00, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106720422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).