5-bromo-2-chloro-6-fluoro-1,3-benzoxazole

C7H2BrClFNO — CID 115410652

IUPAC5-bromo-2-chloro-6-fluoro-1,3-benzoxazole
SMILESFc1cc2oc(Cl)nc2cc1Br
InChIInChI=1S/C7H2BrClFNO/c8-3-1-5-6(2-4(3)10)12-7(9)11-5/h1-2H
InChIKeyRXRHWHIGLCGNGF-UHFFFAOYSA-N
MW250.45 g/mol
LogP3.38
Rot. Bonds

About 5-bromo-2-chloro-6-fluoro-1,3-benzoxazole

5-bromo-2-chloro-6-fluoro-1,3-benzoxazole (PubChem CID 115410652) has the molecular formula C7H2BrClFNO and a molecular weight of 250.45 g/mol. Its IUPAC name is 5-bromo-2-chloro-6-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name5-bromo-2-chloro-6-fluoro-1,3-benzoxazole
PubChem CID115410652
Molecular FormulaC7H2BrClFNO
Molecular Weight250.45 g/mol
Exact Mass248.90
IUPAC Name5-bromo-2-chloro-6-fluoro-1,3-benzoxazole
SMILESFc1cc2oc(Cl)nc2cc1Br
InChIInChI=1S/C7H2BrClFNO/c8-3-1-5-6(2-4(3)10)12-7(9)11-5/h1-2H
InChIKeyRXRHWHIGLCGNGF-UHFFFAOYSA-N
XLogP3.38
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-chloro-6-fluoro-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

Related Compounds

2,6-dichloro-5-fluoro-1,3-benzoxazole
CID 138692253
2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole
CID 134297312
6-bromo-5-fluoro-1,3-benzoxazole-2-carbaldehyde
CID 82386057
2-chloro-6-methyl-1,3-benzoxazole
CID 10678666
2-chloro-6-methyl-[1,3]oxazolo[4,5-c]pyridine
CID 158628216
7-bromo-3,6-difluoroquinoline
CID 162381108
7-bromo-2-chloro-5-methyl-1,3-benzoxazole
CID 62369365
5-bromo-6-fluoro-1-benzofuran-2-carbonitrile
CID 115410664
5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
CID 66088046
3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-amine
CID 82720653
5-bromo-1-(5-chloro-2-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086498
2-(3-bromo-4-fluorophenyl)-5-chloro-1,3,4-oxadiazole
CID 107952886

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-6-fluoro-1,3-benzoxazole?
The IUPAC name of 5-bromo-2-chloro-6-fluoro-1,3-benzoxazole (CID 115410652) is 5-bromo-2-chloro-6-fluoro-1,3-benzoxazole.
What is the SMILES notation for 5-bromo-2-chloro-6-fluoro-1,3-benzoxazole?
The canonical SMILES for 5-bromo-2-chloro-6-fluoro-1,3-benzoxazole is Fc1cc2oc(Cl)nc2cc1Br.
What is the InChIKey of 5-bromo-2-chloro-6-fluoro-1,3-benzoxazole?
The InChIKey is RXRHWHIGLCGNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClFNO/c8-3-1-5-6(2-4(3)10)12-7(9)11-5/h1-2H.
What are the key properties of 5-bromo-2-chloro-6-fluoro-1,3-benzoxazole?
5-bromo-2-chloro-6-fluoro-1,3-benzoxazole has a molecular weight of 250.45 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-6-fluoro-1,3-benzoxazole is sourced from PubChem (CID 115410652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).