4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine

C11H21N3O2 — CID 116701700

IUPAC4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
SMILESCCC(OC)c1noc(CCC(C)(C)N)n1
InChIInChI=1S/C11H21N3O2/c1-5-8(15-4)10-13-9(16-14-10)6-7-11(2,3)12/h8H,5-7,12H2,1-4H3
InChIKeyJKLBLJJVWSWKBO-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.84
Rot. Bonds6

About 4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine

4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine (PubChem CID 116701700) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
PubChem CID116701700
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
SMILESCCC(OC)c1noc(CCC(C)(C)N)n1
InChIInChI=1S/C11H21N3O2/c1-5-8(15-4)10-13-9(16-14-10)6-7-11(2,3)12/h8H,5-7,12H2,1-4H3
InChIKeyJKLBLJJVWSWKBO-UHFFFAOYSA-N
XLogP1.84
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 116703444
N-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116701643
5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine
CID 116701630
3-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 116701865
3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
CID 116701753
N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine
CID 116730899
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 65095005
4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenol
CID 116701803
1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116701835
1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 116701649
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116702582
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116702101

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine?
The IUPAC name of 4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine (CID 116701700) is 4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine.
What is the SMILES notation for 4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine?
The canonical SMILES for 4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine is CCC(OC)c1noc(CCC(C)(C)N)n1.
What is the InChIKey of 4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine?
The InChIKey is JKLBLJJVWSWKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-8(15-4)10-13-9(16-14-10)6-7-11(2,3)12/h8H,5-7,12H2,1-4H3.
What are the key properties of 4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine?
4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine has a molecular weight of 227.31 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine is sourced from PubChem (CID 116701700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).