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

C11H21N3O2 — CID 103022224

IUPAC1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
SMILESCOC(C)(C)c1nc(C(N)C(C)(C)C)no1
InChIInChI=1S/C11H21N3O2/c1-10(2,3)7(12)8-13-9(16-14-8)11(4,5)15-6/h7H,12H2,1-6H3
InChIKeyDEGROIBOAIBGPJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.00
Rot. Bonds3

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

1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine (PubChem CID 103022224) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
PubChem CID103022224
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
SMILESCOC(C)(C)c1nc(C(N)C(C)(C)C)no1
InChIInChI=1S/C11H21N3O2/c1-10(2,3)7(12)8-13-9(16-14-8)11(4,5)15-6/h7H,12H2,1-6H3
InChIKeyDEGROIBOAIBGPJ-UHFFFAOYSA-N
XLogP2.00
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine with MolForge

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Related Compounds

1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 103022287
1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 103310854
[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 103020801
1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 61324231
2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 131086186
2,2-dimethyl-1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61326280
2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62715829
1-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 81125130
1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine
CID 61323612
2,2-dimethyl-1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 114876392
2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 103022247
(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93057363

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine (CID 103022224) is 1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine is COC(C)(C)c1nc(C(N)C(C)(C)C)no1.
What is the InChIKey of 1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is DEGROIBOAIBGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10(2,3)7(12)8-13-9(16-14-8)11(4,5)15-6/h7H,12H2,1-6H3.
What are the key properties of 1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 103022224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).