6-bromo-4H-indeno[1,2-d][1,2]oxazole

C10H6BrNO — CID 84699212

IUPAC6-bromo-4H-indeno[1,2-d][1,2]oxazole
SMILESBrc1ccc2c(c1)Cc1oncc1-2
InChIInChI=1S/C10H6BrNO/c11-7-1-2-8-6(3-7)4-10-9(8)5-12-13-10/h1-3,5H,4H2
InChIKeyKJOMZQWACHFYMD-UHFFFAOYSA-N
MW236.07 g/mol
LogP3.01
Rot. Bonds

About 6-bromo-4H-indeno[1,2-d][1,2]oxazole

6-bromo-4H-indeno[1,2-d][1,2]oxazole (PubChem CID 84699212) has the molecular formula C10H6BrNO and a molecular weight of 236.07 g/mol. Its IUPAC name is 6-bromo-4H-indeno[1,2-d][1,2]oxazole.

Molecular Properties

Compound Name6-bromo-4H-indeno[1,2-d][1,2]oxazole
PubChem CID84699212
Molecular FormulaC10H6BrNO
Molecular Weight236.07 g/mol
Exact Mass234.96
IUPAC Name6-bromo-4H-indeno[1,2-d][1,2]oxazole
SMILESBrc1ccc2c(c1)Cc1oncc1-2
InChIInChI=1S/C10H6BrNO/c11-7-1-2-8-6(3-7)4-10-9(8)5-12-13-10/h1-3,5H,4H2
InChIKeyKJOMZQWACHFYMD-UHFFFAOYSA-N
XLogP3.01
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4H-indeno[1,2-d][1,2]oxazole?
The IUPAC name of 6-bromo-4H-indeno[1,2-d][1,2]oxazole (CID 84699212) is 6-bromo-4H-indeno[1,2-d][1,2]oxazole.
What is the SMILES notation for 6-bromo-4H-indeno[1,2-d][1,2]oxazole?
The canonical SMILES for 6-bromo-4H-indeno[1,2-d][1,2]oxazole is Brc1ccc2c(c1)Cc1oncc1-2.
What is the InChIKey of 6-bromo-4H-indeno[1,2-d][1,2]oxazole?
The InChIKey is KJOMZQWACHFYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO/c11-7-1-2-8-6(3-7)4-10-9(8)5-12-13-10/h1-3,5H,4H2.
What are the key properties of 6-bromo-4H-indeno[1,2-d][1,2]oxazole?
6-bromo-4H-indeno[1,2-d][1,2]oxazole has a molecular weight of 236.07 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4H-indeno[1,2-d][1,2]oxazole is sourced from PubChem (CID 84699212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).