N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine

C12H19N5O2 — CID 66400708

IUPACN-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
SMILESCCc1noc(Cn2ccnc2CNCCOC)n1
InChIInChI=1S/C12H19N5O2/c1-3-10-15-12(19-16-10)9-17-6-4-14-11(17)8-13-5-7-18-2/h4,6,13H,3,5,7-9H2,1-2H3
InChIKeyQUTSOIOGXQGOOP-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.61
Rot. Bonds8

About N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine

N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 66400708) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID66400708
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
SMILESCCc1noc(Cn2ccnc2CNCCOC)n1
InChIInChI=1S/C12H19N5O2/c1-3-10-15-12(19-16-10)9-17-6-4-14-11(17)8-13-5-7-18-2/h4,6,13H,3,5,7-9H2,1-2H3
InChIKeyQUTSOIOGXQGOOP-UHFFFAOYSA-N
XLogP0.61
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.61
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine (CID 66400708) is N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine is CCc1noc(Cn2ccnc2CNCCOC)n1.
What is the InChIKey of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is QUTSOIOGXQGOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-10-15-12(19-16-10)9-17-6-4-14-11(17)8-13-5-7-18-2/h4,6,13H,3,5,7-9H2,1-2H3.
What are the key properties of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine?
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 265.32 g/mol, XLogP of 0.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66400708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).