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

C11H12BrN3O — CID 61267111

IUPAC2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(C)(N)c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C11H12BrN3O/c1-11(2,13)10-14-9(15-16-10)7-3-5-8(12)6-4-7/h3-6H,13H2,1-2H3
InChIKeySXIVUNWNWAJFRQ-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.69
Rot. Bonds2

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

2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 61267111) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID61267111
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(C)(N)c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C11H12BrN3O/c1-11(2,13)10-14-9(15-16-10)7-3-5-8(12)6-4-7/h3-6H,13H2,1-2H3
InChIKeySXIVUNWNWAJFRQ-UHFFFAOYSA-N
XLogP2.69
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79798935
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61267112
1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 62488715
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430523
ethyl 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
CID 79472004
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 752268
3-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
CID 107916312
4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol
CID 135981395
3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 79804455
1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 79797977
2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61264368
5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1362600

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 61267111) is 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CC(C)(N)c1nc(-c2ccc(Br)cc2)no1.
What is the InChIKey of 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is SXIVUNWNWAJFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-11(2,13)10-14-9(15-16-10)7-3-5-8(12)6-4-7/h3-6H,13H2,1-2H3.
What are the key properties of 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 282.14 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 61267111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).