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

C10H19N3O2 — CID 81073152

IUPAC3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCOC(C)(C)c1noc(CC(C)CN)n1
InChIInChI=1S/C10H19N3O2/c1-7(6-11)5-8-12-9(13-15-8)10(2,3)14-4/h7H,5-6,11H2,1-4H3
InChIKeyUICMTLNDFLQSLY-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.09
Rot. Bonds5

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

3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (PubChem CID 81073152) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
PubChem CID81073152
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCOC(C)(C)c1noc(CC(C)CN)n1
InChIInChI=1S/C10H19N3O2/c1-7(6-11)5-8-12-9(13-15-8)10(2,3)14-4/h7H,5-6,11H2,1-4H3
InChIKeyUICMTLNDFLQSLY-UHFFFAOYSA-N
XLogP1.09
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]-2-methylpropan-2-amine
CID 79202486
5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 79202693
2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 79202062
4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 79195004
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
2-methyl-3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104880602
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-2-methylpropan-1-amine
CID 66225179
[1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 113313968
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116704420
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116733624

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (CID 81073152) is 3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is COC(C)(C)c1noc(CC(C)CN)n1.
What is the InChIKey of 3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The InChIKey is UICMTLNDFLQSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7(6-11)5-8-12-9(13-15-8)10(2,3)14-4/h7H,5-6,11H2,1-4H3.
What are the key properties of 3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine has a molecular weight of 213.28 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 81073152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).