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

C13H21N5O — CID 46992978

IUPACN-(1H-imidazol-2-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCN(Cc1noc(CC(C)C)n1)Cc1ncc[nH]1
InChIInChI=1S/C13H21N5O/c1-4-18(8-11-14-5-6-15-11)9-12-16-13(19-17-12)7-10(2)3/h5-6,10H,4,7-9H2,1-3H3,(H,14,15)
InChIKeyRZKXBCULEQSMSS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.01
Rot. Bonds7

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

N-(1H-imidazol-2-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (PubChem CID 46992978) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
PubChem CID46992978
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCN(Cc1noc(CC(C)C)n1)Cc1ncc[nH]1
InChIInChI=1S/C13H21N5O/c1-4-18(8-11-14-5-6-15-11)9-12-16-13(19-17-12)7-10(2)3/h5-6,10H,4,7-9H2,1-3H3,(H,14,15)
InChIKeyRZKXBCULEQSMSS-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

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

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Related Compounds

5-Cyclopropyl-3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 53567324
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine
CID 53617715
5-Cyclopropyl-3-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 71878595
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine
CID 71928489
3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 95817633
(3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole
CID 100691564
5-cyclobutyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53015266
3-[(1H-Imidazol-1-YL)methyl]-5-(pentan-3-YL)-1,2,4-oxadiazole
CID 53193103
5-(1-ethylpropyl)-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53193117
5-cyclobutyl-3-[(2-ethyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53193144
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methyl-1H-imidazol-2-yl)methyl]ethanamine
CID 50959826
N-(3-imidazol-1-ylpropyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 75399631

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (CID 46992978) is N-(1H-imidazol-2-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is CCN(Cc1noc(CC(C)C)n1)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The InChIKey is RZKXBCULEQSMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-18(8-11-14-5-6-15-11)9-12-16-13(19-17-12)7-10(2)3/h5-6,10H,4,7-9H2,1-3H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
N-(1H-imidazol-2-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-2-ylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 46992978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).