5-bromo-3-(3-propan-2-yl-1,2-oxazol-5-yl)pyridin-2-amine

C11H12BrN3O — CID 118469993

IUPAC5-bromo-3-(3-propan-2-yl-1,2-oxazol-5-yl)pyridin-2-amine
SMILESCC(C)c1cc(-c2cc(Br)cnc2N)on1
InChIInChI=1S/C11H12BrN3O/c1-6(2)9-4-10(16-15-9)8-3-7(12)5-14-11(8)13/h3-6H,1-2H3,(H2,13,14)
InChIKeyHXELHLHZNXPQTK-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.20
Rot. Bonds2

About 5-bromo-3-(3-propan-2-yl-1,2-oxazol-5-yl)pyridin-2-amine

5-bromo-3-(3-propan-2-yl-1,2-oxazol-5-yl)pyridin-2-amine (PubChem CID 118469993) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-bromo-3-(3-propan-2-yl-1,2-oxazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(3-propan-2-yl-1,2-oxazol-5-yl)pyridin-2-amine
PubChem CID118469993
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name5-bromo-3-(3-propan-2-yl-1,2-oxazol-5-yl)pyridin-2-amine
SMILESCC(C)c1cc(-c2cc(Br)cnc2N)on1
InChIInChI=1S/C11H12BrN3O/c1-6(2)9-4-10(16-15-9)8-3-7(12)5-14-11(8)13/h3-6H,1-2H3,(H2,13,14)
InChIKeyHXELHLHZNXPQTK-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-propan-2-yl-1,2-oxazol-5-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-(3-propan-2-yl-1,2-oxazol-5-yl)pyridin-2-amine (CID 118469993) is 5-bromo-3-(3-propan-2-yl-1,2-oxazol-5-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(3-propan-2-yl-1,2-oxazol-5-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-(3-propan-2-yl-1,2-oxazol-5-yl)pyridin-2-amine is CC(C)c1cc(-c2cc(Br)cnc2N)on1.
What is the InChIKey of 5-bromo-3-(3-propan-2-yl-1,2-oxazol-5-yl)pyridin-2-amine?
The InChIKey is HXELHLHZNXPQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-6(2)9-4-10(16-15-9)8-3-7(12)5-14-11(8)13/h3-6H,1-2H3,(H2,13,14).
What are the key properties of 5-bromo-3-(3-propan-2-yl-1,2-oxazol-5-yl)pyridin-2-amine?
5-bromo-3-(3-propan-2-yl-1,2-oxazol-5-yl)pyridin-2-amine has a molecular weight of 282.14 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-propan-2-yl-1,2-oxazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 118469993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).