3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine

C15H20BrN3O — CID 63350687

IUPAC3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(c1nc(-c2ccccc2Br)no1)C(C)C
InChIInChI=1S/C15H20BrN3O/c1-9(2)13(10(3)17-4)15-18-14(19-20-15)11-7-5-6-8-12(11)16/h5-10,13,17H,1-4H3
InChIKeyHWIAHRQFIKIAQP-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.85
Rot. Bonds5

About 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine

3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine (PubChem CID 63350687) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
PubChem CID63350687
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(c1nc(-c2ccccc2Br)no1)C(C)C
InChIInChI=1S/C15H20BrN3O/c1-9(2)13(10(3)17-4)15-18-14(19-20-15)11-7-5-6-8-12(11)16/h5-10,13,17H,1-4H3
InChIKeyHWIAHRQFIKIAQP-UHFFFAOYSA-N
XLogP3.85
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 55200898
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008092
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 63559733
(2R)-2-amino-2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915670
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 62884713
3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 107282875
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63350773
3-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 103084112
3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine
CID 102218667
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-methylethanamine
CID 63350689
3-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 107915811
N,4-dimethyl-3-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63351247

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine (CID 63350687) is 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine is CNC(C)C(c1nc(-c2ccccc2Br)no1)C(C)C.
What is the InChIKey of 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The InChIKey is HWIAHRQFIKIAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-9(2)13(10(3)17-4)15-18-14(19-20-15)11-7-5-6-8-12(11)16/h5-10,13,17H,1-4H3.
What are the key properties of 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine has a molecular weight of 338.25 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 63350687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).