7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole

C14H9BrFNO — CID 82095604

IUPAC7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole
SMILESCc1ccc(-c2nc3cc(F)cc(Br)c3o2)cc1
InChIInChI=1S/C14H9BrFNO/c1-8-2-4-9(5-3-8)14-17-12-7-10(16)6-11(15)13(12)18-14/h2-7H,1H3
InChIKeyQTVULQHTJJFRNH-UHFFFAOYSA-N
MW306.13 g/mol
LogP4.70
Rot. Bonds1

About 7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole

7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole (PubChem CID 82095604) has the molecular formula C14H9BrFNO and a molecular weight of 306.13 g/mol. Its IUPAC name is 7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole
PubChem CID82095604
Molecular FormulaC14H9BrFNO
Molecular Weight306.13 g/mol
Exact Mass304.99
IUPAC Name7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole
SMILESCc1ccc(-c2nc3cc(F)cc(Br)c3o2)cc1
InChIInChI=1S/C14H9BrFNO/c1-8-2-4-9(5-3-8)14-17-12-7-10(16)6-11(15)13(12)18-14/h2-7H,1H3
InChIKeyQTVULQHTJJFRNH-UHFFFAOYSA-N
XLogP4.70
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.13
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-bromo-5-fluoro-2-(4-methylphenyl)-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

5,7-difluoro-2-(4-methylphenyl)-1,3-benzoxazole
CID 82232090
7-bromo-2-(3-fluorophenyl)-5-methyl-1,3-benzoxazole
CID 82095605
2-(4-bromophenyl)-5-fluoro-1,3-benzoxazol-7-amine
CID 82234229
7-bromo-2-(3,4-dichlorophenyl)-5-methyl-1,3-benzoxazole
CID 51983759
7-bromo-5-fluoro-2-(furan-2-yl)-1,3-benzoxazole
CID 82095537
5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole
CID 82233017
7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole
CID 51983755
4-(7-bromo-5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 50849277
5-bromo-2-(3-fluoro-5-methylphenyl)-1,3-benzoxazol-7-amine
CID 104728991
2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
CID 118531011
7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole
CID 28690923
7-bromo-2-(3-methylphenyl)-1,3-benzoxazole
CID 82233864

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole?
The IUPAC name of 7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole (CID 82095604) is 7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole?
The canonical SMILES for 7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole is Cc1ccc(-c2nc3cc(F)cc(Br)c3o2)cc1.
What is the InChIKey of 7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole?
The InChIKey is QTVULQHTJJFRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO/c1-8-2-4-9(5-3-8)14-17-12-7-10(16)6-11(15)13(12)18-14/h2-7H,1H3.
What are the key properties of 7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole?
7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole has a molecular weight of 306.13 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 82095604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).