N-(1H-imidazol-5-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine

C13H21N5O — CID 46988424

IUPACN-(1H-imidazol-5-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCN(Cc1noc(CC(C)C)n1)Cc1cnc[nH]1
InChIInChI=1S/C13H21N5O/c1-4-18(7-11-6-14-9-15-11)8-12-16-13(19-17-12)5-10(2)3/h6,9-10H,4-5,7-8H2,1-3H3,(H,14,15)
InChIKeyVVGOMRJGVMTPGL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.01
Rot. Bonds7

About N-(1H-imidazol-5-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine

N-(1H-imidazol-5-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (PubChem CID 46988424) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
PubChem CID46988424
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCN(Cc1noc(CC(C)C)n1)Cc1cnc[nH]1
InChIInChI=1S/C13H21N5O/c1-4-18(7-11-6-14-9-15-11)8-12-16-13(19-17-12)5-10(2)3/h6,9-10H,4-5,7-8H2,1-3H3,(H,14,15)
InChIKeyVVGOMRJGVMTPGL-UHFFFAOYSA-N
XLogP2.01
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (CID 46988424) is N-(1H-imidazol-5-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is CCN(Cc1noc(CC(C)C)n1)Cc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The InChIKey is VVGOMRJGVMTPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-18(7-11-6-14-9-15-11)8-12-16-13(19-17-12)5-10(2)3/h6,9-10H,4-5,7-8H2,1-3H3,(H,14,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
N-(1H-imidazol-5-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine has a molecular weight of 263.34 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 46988424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).