2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine

C15H20BrN3O2 — CID 104637401

IUPAC2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
SMILESCc1c(Br)cccc1-c1nc(C(C)(N)COC(C)C)no1
InChIInChI=1S/C15H20BrN3O2/c1-9(2)20-8-15(4,17)14-18-13(21-19-14)11-6-5-7-12(16)10(11)3/h5-7,9H,8,17H2,1-4H3
InChIKeyJSCUZUYTTSEJCX-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.41
Rot. Bonds5

About 2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine

2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine (PubChem CID 104637401) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
PubChem CID104637401
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
SMILESCc1c(Br)cccc1-c1nc(C(C)(N)COC(C)C)no1
InChIInChI=1S/C15H20BrN3O2/c1-9(2)20-8-15(4,17)14-18-13(21-19-14)11-6-5-7-12(16)10(11)3/h5-7,9H,8,17H2,1-4H3
InChIKeyJSCUZUYTTSEJCX-UHFFFAOYSA-N
XLogP3.41
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637304
2-[5-(2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637405
2-[5-(4-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637389
2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637323
2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637351
2-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637349
2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637248
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637159
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637170
1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 136964381
2-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 107983758
2-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 113435718

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The IUPAC name of 2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine (CID 104637401) is 2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The canonical SMILES for 2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine is Cc1c(Br)cccc1-c1nc(C(C)(N)COC(C)C)no1.
What is the InChIKey of 2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The InChIKey is JSCUZUYTTSEJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-9(2)20-8-15(4,17)14-18-13(21-19-14)11-6-5-7-12(16)10(11)3/h5-7,9H,8,17H2,1-4H3.
What are the key properties of 2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine has a molecular weight of 354.25 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 104637401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).