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

C10H19N3O2 — CID 79202486

IUPAC1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
SMILESCOC(C)(C)c1noc(CC(C)(C)N)n1
InChIInChI=1S/C10H19N3O2/c1-9(2,11)6-7-12-8(13-15-7)10(3,4)14-5/h6,11H2,1-5H3
InChIKeyCCMUZQRTUSGRTJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.23
Rot. Bonds4

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

1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine (PubChem CID 79202486) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
PubChem CID79202486
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
SMILESCOC(C)(C)c1noc(CC(C)(C)N)n1
InChIInChI=1S/C10H19N3O2/c1-9(2,11)6-7-12-8(13-15-7)10(3,4)14-5/h6,11H2,1-5H3
InChIKeyCCMUZQRTUSGRTJ-UHFFFAOYSA-N
XLogP1.23
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 79202693
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 116740710
2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 79201638
3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81073152
1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64671674
1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79197851
[1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 113313968
4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 79195004
4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80655552
2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 79202062
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine
CID 64671837
3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
CID 79202804

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine (CID 79202486) is 1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine is COC(C)(C)c1noc(CC(C)(C)N)n1.
What is the InChIKey of 1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine?
The InChIKey is CCMUZQRTUSGRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-9(2,11)6-7-12-8(13-15-7)10(3,4)14-5/h6,11H2,1-5H3.
What are the key properties of 1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine?
1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine has a molecular weight of 213.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 79202486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).