5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine

C11H8BrN3O — CID 136985805

IUPAC5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc3c(Br)cccc3[nH]2)on1
InChIInChI=1S/C11H8BrN3O/c12-7-2-1-3-8-6(7)4-9(14-8)10-5-11(13)15-16-10/h1-5,14H,(H2,13,15)
InChIKeyOGSVXFUEYYRUGH-UHFFFAOYSA-N
MW278.11 g/mol
LogP3.17
Rot. Bonds1

About 5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine

5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine (PubChem CID 136985805) has the molecular formula C11H8BrN3O and a molecular weight of 278.11 g/mol. Its IUPAC name is 5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine
PubChem CID136985805
Molecular FormulaC11H8BrN3O
Molecular Weight278.11 g/mol
Exact Mass276.99
IUPAC Name5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc3c(Br)cccc3[nH]2)on1
InChIInChI=1S/C11H8BrN3O/c12-7-2-1-3-8-6(7)4-9(14-8)10-5-11(13)15-16-10/h1-5,14H,(H2,13,15)
InChIKeyOGSVXFUEYYRUGH-UHFFFAOYSA-N
XLogP3.17
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-phenyl-1H-indole
CID 15151163
5-(5-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine
CID 136985780
5-(7-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine
CID 136985724
4-bromo-2-(2-chlorophenyl)-1H-indole
CID 59689098
4-bromo-2-chloro-1H-indole
CID 19700309
2-(4-amino-1,2-oxazol-5-yl)-1H-indol-4-ol
CID 137016964
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol
CID 136932435
5-(4-fluoro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985687
4-bromo-2-(bromomethyl)-1H-indole
CID 133062048
5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine
CID 117327000
4-bromo-2-(chloromethyl)-1H-indole
CID 133054456
4-bromo-2-phenyl-1H-indole;trifluoromethanesulfonic acid
CID 158118938

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine (CID 136985805) is 5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine is Nc1cc(-c2cc3c(Br)cccc3[nH]2)on1.
What is the InChIKey of 5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine?
The InChIKey is OGSVXFUEYYRUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O/c12-7-2-1-3-8-6(7)4-9(14-8)10-5-11(13)15-16-10/h1-5,14H,(H2,13,15).
What are the key properties of 5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine?
5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine has a molecular weight of 278.11 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 136985805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).