7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole

C15H11BrFNO — CID 28690900

IUPAC7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole
SMILESCc1cc2nc(-c3ccccc3F)oc2c(Br)c1C
InChIInChI=1S/C15H11BrFNO/c1-8-7-12-14(13(16)9(8)2)19-15(18-12)10-5-3-4-6-11(10)17/h3-7H,1-2H3
InChIKeyBLDIVGKPAMVYAJ-UHFFFAOYSA-N
MW320.16 g/mol
LogP5.01
Rot. Bonds1

About 7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole

7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole (PubChem CID 28690900) has the molecular formula C15H11BrFNO and a molecular weight of 320.16 g/mol. Its IUPAC name is 7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole
PubChem CID28690900
Molecular FormulaC15H11BrFNO
Molecular Weight320.16 g/mol
Exact Mass319.00
IUPAC Name7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole
SMILESCc1cc2nc(-c3ccccc3F)oc2c(Br)c1C
InChIInChI=1S/C15H11BrFNO/c1-8-7-12-14(13(16)9(8)2)19-15(18-12)10-5-3-4-6-11(10)17/h3-7H,1-2H3
InChIKeyBLDIVGKPAMVYAJ-UHFFFAOYSA-N
XLogP5.01
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.16
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole 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 7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole?
The IUPAC name of 7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole (CID 28690900) is 7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole?
The canonical SMILES for 7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole is Cc1cc2nc(-c3ccccc3F)oc2c(Br)c1C.
What is the InChIKey of 7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole?
The InChIKey is BLDIVGKPAMVYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO/c1-8-7-12-14(13(16)9(8)2)19-15(18-12)10-5-3-4-6-11(10)17/h3-7H,1-2H3.
What are the key properties of 7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole?
7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole has a molecular weight of 320.16 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole is sourced from PubChem (CID 28690900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).