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

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Related Compounds

7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole
CID 95910719
5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole
CID 82233118
7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole
CID 28690923
3-(7-bromo-5,6-dimethyl-1,3-benzoxazol-2-yl)aniline
CID 28690975
2-(2-fluorophenyl)-7-methyl-5-nitro-1,3-benzoxazole
CID 95910835
2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine
CID 82232746
2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
CID 91676679
7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 51983742
6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one
CID 132786054
1-[5-amino-2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone
CID 94979203
7-bromo-2-(3-chloro-4-methoxyphenyl)-5,6-dimethyl-1,3-benzoxazole
CID 28690953
7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 50849295

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).