3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine

C11H9BrN4O — CID 117472955

IUPAC3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine
SMILESCn1nc(Br)c2ccc(-c3cc(N)on3)cc21
InChIInChI=1S/C11H9BrN4O/c1-16-9-4-6(8-5-10(13)17-15-8)2-3-7(9)11(12)14-16/h2-5H,13H2,1H3
InChIKeyKELOVWACFQLADU-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.57
Rot. Bonds1

About 3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine

3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine (PubChem CID 117472955) has the molecular formula C11H9BrN4O and a molecular weight of 293.12 g/mol. Its IUPAC name is 3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine
PubChem CID117472955
Molecular FormulaC11H9BrN4O
Molecular Weight293.12 g/mol
Exact Mass292.00
IUPAC Name3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine
SMILESCn1nc(Br)c2ccc(-c3cc(N)on3)cc21
InChIInChI=1S/C11H9BrN4O/c1-16-9-4-6(8-5-10(13)17-15-8)2-3-7(9)11(12)14-16/h2-5H,13H2,1H3
InChIKeyKELOVWACFQLADU-UHFFFAOYSA-N
XLogP2.57
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dibromo-1-methylindazole
CID 76846072
3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine
CID 117328763
3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117336518
5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine
CID 117374898
3-(5-bromo-1-methylpyrazol-4-yl)-1,2-oxazol-5-amine
CID 130905396
3-(4-ethylisoquinolin-7-yl)-1,2-oxazol-5-amine
CID 117350737
3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117314495
3-[3-(dimethylamino)-4-methylphenyl]-1,2-oxazol-5-amine
CID 115112364
6-bromo-1-methylindazol-3-amine
CID 46835549
3-(1,3-benzothiazol-6-yl)-1,2-oxazol-5-amine
CID 117309227
3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine
CID 117323198
3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117305294

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine (CID 117472955) is 3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine is Cn1nc(Br)c2ccc(-c3cc(N)on3)cc21.
What is the InChIKey of 3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine?
The InChIKey is KELOVWACFQLADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O/c1-16-9-4-6(8-5-10(13)17-15-8)2-3-7(9)11(12)14-16/h2-5H,13H2,1H3.
What are the key properties of 3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine?
3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine has a molecular weight of 293.12 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117472955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).