5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole

C24H14Br2N2O2 — CID 59970333

IUPAC5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
SMILESBrc1ccc2oc(C=Cc3ccc(C=Cc4nc5cc(Br)ccc5o4)cc3)nc2c1
InChIInChI=1S/C24H14Br2N2O2/c25-17-7-9-21-19(13-17)27-23(29-21)11-5-15-1-2-16(4-3-15)6-12-24-28-20-14-18(26)8-10-22(20)30-24/h1-14H
InChIKeyCUQZVQIOQUTOFZ-UHFFFAOYSA-N
MW522.20 g/mol
LogP7.83
Rot. Bonds4

About 5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole

5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole (PubChem CID 59970333) has the molecular formula C24H14Br2N2O2 and a molecular weight of 522.20 g/mol. Its IUPAC name is 5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
PubChem CID59970333
Molecular FormulaC24H14Br2N2O2
Molecular Weight522.20 g/mol
Exact Mass519.94
IUPAC Name5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
SMILESBrc1ccc2oc(C=Cc3ccc(C=Cc4nc5cc(Br)ccc5o4)cc3)nc2c1
InChIInChI=1S/C24H14Br2N2O2/c25-17-7-9-21-19(13-17)27-23(29-21)11-5-15-1-2-16(4-3-15)6-12-24-28-20-14-18(26)8-10-22(20)30-24/h1-14H
InChIKeyCUQZVQIOQUTOFZ-UHFFFAOYSA-N
XLogP7.83
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.20
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline
CID 59970337
5-bromo-2-[2-(3-fluorophenyl)ethenyl]-1,3-benzoxazole
CID 68895107
2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole
CID 6215281
5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 14876248
2-[(E)-2-(4-bromophenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole
CID 9446993
(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-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol
CID 82357890
6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one
CID 2878832
2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 4222558

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole?
The IUPAC name of 5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole (CID 59970333) is 5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole?
The canonical SMILES for 5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole is Brc1ccc2oc(C=Cc3ccc(C=Cc4nc5cc(Br)ccc5o4)cc3)nc2c1.
What is the InChIKey of 5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole?
The InChIKey is CUQZVQIOQUTOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Br2N2O2/c25-17-7-9-21-19(13-17)27-23(29-21)11-5-15-1-2-16(4-3-15)6-12-24-28-20-14-18(26)8-10-22(20)30-24/h1-14H.
What are the key properties of 5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole?
5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole has a molecular weight of 522.20 g/mol, XLogP of 7.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 59970333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).