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

C11H17N5O — CID 107496065

IUPAC2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
SMILESCC(C)Cc1noc(-c2cn(CCN)cn2)n1
InChIInChI=1S/C11H17N5O/c1-8(2)5-10-14-11(17-15-10)9-6-16(4-3-12)7-13-9/h6-8H,3-5,12H2,1-2H3
InChIKeyOUFYEAYRVHYHJV-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.09
Rot. Bonds5

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

2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine (PubChem CID 107496065) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
PubChem CID107496065
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
SMILESCC(C)Cc1noc(-c2cn(CCN)cn2)n1
InChIInChI=1S/C11H17N5O/c1-8(2)5-10-14-11(17-15-10)9-6-16(4-3-12)7-13-9/h6-8H,3-5,12H2,1-2H3
InChIKeyOUFYEAYRVHYHJV-UHFFFAOYSA-N
XLogP1.09
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 107496445
4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 107496062
2-[4-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496103
2-[4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496326
2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496109
2-[4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496402
2-[4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496465
4-[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888881
2-[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine
CID 107496449
2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496193
N-[[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 107974454
2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine
CID 107496057

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine (CID 107496065) is 2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine is CC(C)Cc1noc(-c2cn(CCN)cn2)n1.
What is the InChIKey of 2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine?
The InChIKey is OUFYEAYRVHYHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8(2)5-10-14-11(17-15-10)9-6-16(4-3-12)7-13-9/h6-8H,3-5,12H2,1-2H3.
What are the key properties of 2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine?
2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine has a molecular weight of 235.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine is sourced from PubChem (CID 107496065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).