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

C11H21N3O2 — CID 79195004

IUPAC4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
SMILESCNC(C)CCc1nc(C(C)(C)OC)no1
InChIInChI=1S/C11H21N3O2/c1-8(12-4)6-7-9-13-10(14-16-9)11(2,3)15-5/h8,12H,6-7H2,1-5H3
InChIKeyZUBURFWTEUZIPM-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.49
Rot. Bonds6

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

4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine (PubChem CID 79195004) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
PubChem CID79195004
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
SMILESCNC(C)CCc1nc(C(C)(C)OC)no1
InChIInChI=1S/C11H21N3O2/c1-8(12-4)6-7-9-13-10(14-16-9)11(2,3)15-5/h8,12H,6-7H2,1-5H3
InChIKeyZUBURFWTEUZIPM-UHFFFAOYSA-N
XLogP1.49
TPSA60.18 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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 79201638
3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
CID 79202804
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 65093589
5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 79202693
3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81073152
N-methyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350502
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116733624
1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 79202486
1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79197851
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
CID 64986076
N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63351995
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116781044

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The IUPAC name of 4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine (CID 79195004) is 4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine.
What is the SMILES notation for 4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The canonical SMILES for 4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine is CNC(C)CCc1nc(C(C)(C)OC)no1.
What is the InChIKey of 4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The InChIKey is ZUBURFWTEUZIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(12-4)6-7-9-13-10(14-16-9)11(2,3)15-5/h8,12H,6-7H2,1-5H3.
What are the key properties of 4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine has a molecular weight of 227.31 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine is sourced from PubChem (CID 79195004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).