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

C11H19N3O2 — CID 65330095

IUPAC3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(C)C(N)Cc1nc(C2CCCO2)no1
InChIInChI=1S/C11H19N3O2/c1-7(2)8(12)6-10-13-11(14-16-10)9-4-3-5-15-9/h7-9H,3-6,12H2,1-2H3
InChIKeyAAWQZMYXYFKVEP-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.45
Rot. Bonds4

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

3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 65330095) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID65330095
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(C)C(N)Cc1nc(C2CCCO2)no1
InChIInChI=1S/C11H19N3O2/c1-7(2)8(12)6-10-13-11(14-16-10)9-4-3-5-15-9/h7-9H,3-6,12H2,1-2H3
InChIKeyAAWQZMYXYFKVEP-UHFFFAOYSA-N
XLogP1.45
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65328398
1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65328569
3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65328682
3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride
CID 120893845
N-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65330259
4-methyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65328283
(2R)-2-amino-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915770
[1-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 65330933
(1R)-3-methylsulfanyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104909472
3-methyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79085494
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol
CID 63345168
3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79665247

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 65330095) is 3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CC(C)C(N)Cc1nc(C2CCCO2)no1.
What is the InChIKey of 3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is AAWQZMYXYFKVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)8(12)6-10-13-11(14-16-10)9-4-3-5-15-9/h7-9H,3-6,12H2,1-2H3.
What are the key properties of 3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 225.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 65330095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).