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

C11H11BrClN3O — CID 61325051

IUPAC2-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(-c2cc(Br)ccc2Cl)n1
InChIInChI=1S/C11H11BrClN3O/c1-11(2,14)10-15-9(17-16-10)7-5-6(12)3-4-8(7)13/h3-5H,14H2,1-2H3
InChIKeySNDOGVJIONQPCW-UHFFFAOYSA-N
MW316.59 g/mol
LogP3.35
Rot. Bonds2

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

2-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 61325051) has the molecular formula C11H11BrClN3O and a molecular weight of 316.59 g/mol. Its IUPAC name is 2-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID61325051
Molecular FormulaC11H11BrClN3O
Molecular Weight316.59 g/mol
Exact Mass314.98
IUPAC Name2-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(-c2cc(Br)ccc2Cl)n1
InChIInChI=1S/C11H11BrClN3O/c1-11(2,14)10-15-9(17-16-10)7-5-6(12)3-4-8(7)13/h3-5H,14H2,1-2H3
InChIKeySNDOGVJIONQPCW-UHFFFAOYSA-N
XLogP3.35
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 61325051) is 2-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(C)(N)c1noc(-c2cc(Br)ccc2Cl)n1.
What is the InChIKey of 2-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is SNDOGVJIONQPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O/c1-11(2,14)10-15-9(17-16-10)7-5-6(12)3-4-8(7)13/h3-5H,14H2,1-2H3.
What are the key properties of 2-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 316.59 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 61325051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).