5-bromo-2-[2-(3-fluorophenyl)ethenyl]-1,3-benzoxazole

C15H9BrFNO — CID 68895107

IUPAC5-bromo-2-[2-(3-fluorophenyl)ethenyl]-1,3-benzoxazole
SMILESFc1cccc(C=Cc2nc3cc(Br)ccc3o2)c1
InChIInChI=1S/C15H9BrFNO/c16-11-5-6-14-13(9-11)18-15(19-14)7-4-10-2-1-3-12(17)8-10/h1-9H
InChIKeyWAEOJZYFVXVPOF-UHFFFAOYSA-N
MW318.15 g/mol
LogP4.90
Rot. Bonds2

About 5-bromo-2-[2-(3-fluorophenyl)ethenyl]-1,3-benzoxazole

5-bromo-2-[2-(3-fluorophenyl)ethenyl]-1,3-benzoxazole (PubChem CID 68895107) has the molecular formula C15H9BrFNO and a molecular weight of 318.15 g/mol. Its IUPAC name is 5-bromo-2-[2-(3-fluorophenyl)ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-bromo-2-[2-(3-fluorophenyl)ethenyl]-1,3-benzoxazole
PubChem CID68895107
Molecular FormulaC15H9BrFNO
Molecular Weight318.15 g/mol
Exact Mass316.99
IUPAC Name5-bromo-2-[2-(3-fluorophenyl)ethenyl]-1,3-benzoxazole
SMILESFc1cccc(C=Cc2nc3cc(Br)ccc3o2)c1
InChIInChI=1S/C15H9BrFNO/c16-11-5-6-14-13(9-11)18-15(19-14)7-4-10-2-1-3-12(17)8-10/h1-9H
InChIKeyWAEOJZYFVXVPOF-UHFFFAOYSA-N
XLogP4.90
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 59970333
2-[(E)-2-(3-fluorophenyl)ethenyl]-5-nitro-1,3-benzoxazole
CID 8832228
4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline
CID 59970337
2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole
CID 6215281
(E)-3-(5-bromo-1,3-benzoxazol-2-yl)prop-2-enoic acid
CID 84640590
5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole
CID 6214674
5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole
CID 95479673
5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
CID 6139123
2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole
CID 6213131
2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 3914706
2-[(E)-2-(4-bromophenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole
CID 9446993
5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 14876248

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(3-fluorophenyl)ethenyl]-1,3-benzoxazole?
The IUPAC name of 5-bromo-2-[2-(3-fluorophenyl)ethenyl]-1,3-benzoxazole (CID 68895107) is 5-bromo-2-[2-(3-fluorophenyl)ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 5-bromo-2-[2-(3-fluorophenyl)ethenyl]-1,3-benzoxazole?
The canonical SMILES for 5-bromo-2-[2-(3-fluorophenyl)ethenyl]-1,3-benzoxazole is Fc1cccc(C=Cc2nc3cc(Br)ccc3o2)c1.
What is the InChIKey of 5-bromo-2-[2-(3-fluorophenyl)ethenyl]-1,3-benzoxazole?
The InChIKey is WAEOJZYFVXVPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFNO/c16-11-5-6-14-13(9-11)18-15(19-14)7-4-10-2-1-3-12(17)8-10/h1-9H.
What are the key properties of 5-bromo-2-[2-(3-fluorophenyl)ethenyl]-1,3-benzoxazole?
5-bromo-2-[2-(3-fluorophenyl)ethenyl]-1,3-benzoxazole has a molecular weight of 318.15 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(3-fluorophenyl)ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 68895107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).