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

C13H21N5O2 — CID 66403063

IUPAC2-methoxy-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCCc1noc(Cn2ccnc2CNCCOC)n1
InChIInChI=1S/C13H21N5O2/c1-3-4-11-16-13(20-17-11)10-18-7-5-15-12(18)9-14-6-8-19-2/h5,7,14H,3-4,6,8-10H2,1-2H3
InChIKeyMMNCKJQJXFFBMF-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.00
Rot. Bonds9

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

2-methoxy-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine (PubChem CID 66403063) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine
PubChem CID66403063
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-methoxy-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCCc1noc(Cn2ccnc2CNCCOC)n1
InChIInChI=1S/C13H21N5O2/c1-3-4-11-16-13(20-17-11)10-18-7-5-15-12(18)9-14-6-8-19-2/h5,7,14H,3-4,6,8-10H2,1-2H3
InChIKeyMMNCKJQJXFFBMF-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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine (CID 66403063) is 2-methoxy-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine is CCCc1noc(Cn2ccnc2CNCCOC)n1.
What is the InChIKey of 2-methoxy-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The InChIKey is MMNCKJQJXFFBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-4-11-16-13(20-17-11)10-18-7-5-15-12(18)9-14-6-8-19-2/h5,7,14H,3-4,6,8-10H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-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-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 66403063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).