2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine

C9H17N3O2 — CID 104637170

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
SMILESCc1nc(C(C)(N)COC(C)C)no1
InChIInChI=1S/C9H17N3O2/c1-6(2)13-5-9(4,10)8-11-7(3)14-12-8/h6H,5,10H2,1-4H3
InChIKeyXYSYXCLDSSWBAQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.98
Rot. Bonds4

About 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine

2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine (PubChem CID 104637170) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
PubChem CID104637170
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
SMILESCc1nc(C(C)(N)COC(C)C)no1
InChIInChI=1S/C9H17N3O2/c1-6(2)13-5-9(4,10)8-11-7(3)14-12-8/h6H,5,10H2,1-4H3
InChIKeyXYSYXCLDSSWBAQ-UHFFFAOYSA-N
XLogP0.98
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 113435718
2-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637345
2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637288
2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 107002985
2-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637349
1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435681
2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637304
1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 136964381
1-propan-2-yloxy-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103211850
2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637248
2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637401
2-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637238

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine (CID 104637170) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine is Cc1nc(C(C)(N)COC(C)C)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine?
The InChIKey is XYSYXCLDSSWBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(2)13-5-9(4,10)8-11-7(3)14-12-8/h6H,5,10H2,1-4H3.
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine has a molecular weight of 199.25 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 104637170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).