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

C13H21N5O — CID 106422452

IUPAC3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine
SMILESCc1nc(CCn2cncc2C(CN)C(C)C)no1
InChIInChI=1S/C13H21N5O/c1-9(2)11(6-14)12-7-15-8-18(12)5-4-13-16-10(3)19-17-13/h7-9,11H,4-6,14H2,1-3H3
InChIKeyYQLXABLIFPBDOI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.52
Rot. Bonds6

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

3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine (PubChem CID 106422452) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine
PubChem CID106422452
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine
SMILESCc1nc(CCn2cncc2C(CN)C(C)C)no1
InChIInChI=1S/C13H21N5O/c1-9(2)11(6-14)12-7-15-8-18(12)5-4-13-16-10(3)19-17-13/h7-9,11H,4-6,14H2,1-3H3
InChIKeyYQLXABLIFPBDOI-UHFFFAOYSA-N
XLogP1.52
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine with MolForge

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Related Compounds

2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444090
3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine
CID 107444361
2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 106040953
3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine
CID 106327217
3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine
CID 114169292
3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine
CID 107444354
3-methyl-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]butan-1-amine
CID 107444218
2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide
CID 107444292
[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 106410300
2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443923
5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106410304
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 114185716

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine (CID 106422452) is 3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine is Cc1nc(CCn2cncc2C(CN)C(C)C)no1.
What is the InChIKey of 3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine?
The InChIKey is YQLXABLIFPBDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9(2)11(6-14)12-7-15-8-18(12)5-4-13-16-10(3)19-17-13/h7-9,11H,4-6,14H2,1-3H3.
What are the key properties of 3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine?
3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine has a molecular weight of 263.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 106422452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).