4-(5-bromo-6-methoxyindazol-2-yl)-3,5-dimethyl-1,2-oxazole

C13H12BrN3O2 — CID 170334663

IUPAC4-(5-bromo-6-methoxyindazol-2-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2nn(-c3c(C)noc3C)cc2cc1Br
InChIInChI=1S/C13H12BrN3O2/c1-7-13(8(2)19-16-7)17-6-9-4-10(14)12(18-3)5-11(9)15-17/h4-6H,1-3H3
InChIKeyZBDVFTVTMKNDTI-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.40
Rot. Bonds2

About 4-(5-bromo-6-methoxyindazol-2-yl)-3,5-dimethyl-1,2-oxazole

4-(5-bromo-6-methoxyindazol-2-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 170334663) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 4-(5-bromo-6-methoxyindazol-2-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(5-bromo-6-methoxyindazol-2-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID170334663
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name4-(5-bromo-6-methoxyindazol-2-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2nn(-c3c(C)noc3C)cc2cc1Br
InChIInChI=1S/C13H12BrN3O2/c1-7-13(8(2)19-16-7)17-6-9-4-10(14)12(18-3)5-11(9)15-17/h4-6H,1-3H3
InChIKeyZBDVFTVTMKNDTI-UHFFFAOYSA-N
XLogP3.40
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(5-bromo-6-methoxyindazol-2-yl)-3,5-dimethyl-1,2-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-6-methoxyindazol-2-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(5-bromo-6-methoxyindazol-2-yl)-3,5-dimethyl-1,2-oxazole (CID 170334663) is 4-(5-bromo-6-methoxyindazol-2-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(5-bromo-6-methoxyindazol-2-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(5-bromo-6-methoxyindazol-2-yl)-3,5-dimethyl-1,2-oxazole is COc1cc2nn(-c3c(C)noc3C)cc2cc1Br.
What is the InChIKey of 4-(5-bromo-6-methoxyindazol-2-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is ZBDVFTVTMKNDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-7-13(8(2)19-16-7)17-6-9-4-10(14)12(18-3)5-11(9)15-17/h4-6H,1-3H3.
What are the key properties of 4-(5-bromo-6-methoxyindazol-2-yl)-3,5-dimethyl-1,2-oxazole?
4-(5-bromo-6-methoxyindazol-2-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 322.16 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-6-methoxyindazol-2-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 170334663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).