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

C11H17N5O — CID 137012523

IUPAC2-ethyl-2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC(CC)(CN)c1nc(-c2ncc[nH]2)no1
InChIInChI=1S/C11H17N5O/c1-3-11(4-2,7-12)10-15-9(16-17-10)8-13-5-6-14-8/h5-6H,3-4,7,12H2,1-2H3,(H,13,14)
InChIKeyBVULQBUUTIIUAS-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.48
Rot. Bonds5

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

2-ethyl-2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 137012523) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-ethyl-2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID137012523
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-ethyl-2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC(CC)(CN)c1nc(-c2ncc[nH]2)no1
InChIInChI=1S/C11H17N5O/c1-3-11(4-2,7-12)10-15-9(16-17-10)8-13-5-6-14-8/h5-6H,3-4,7,12H2,1-2H3,(H,13,14)
InChIKeyBVULQBUUTIIUAS-UHFFFAOYSA-N
XLogP1.48
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 136854692
3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole
CID 137219999
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430523
2-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115430636
2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430644
2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430637
2-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 113308657
2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 113308674
(1S)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 136820497
3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 136755756
2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430625
2-ethyl-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115430528

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 2-ethyl-2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 137012523) is 2-ethyl-2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 2-ethyl-2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 2-ethyl-2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CCC(CC)(CN)c1nc(-c2ncc[nH]2)no1.
What is the InChIKey of 2-ethyl-2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is BVULQBUUTIIUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-3-11(4-2,7-12)10-15-9(16-17-10)8-13-5-6-14-8/h5-6H,3-4,7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-ethyl-2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
2-ethyl-2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 235.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 137012523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).