2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole

C15H10BrNO — CID 6215281

IUPAC2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole
SMILESBrc1ccc(/C=C/c2nc3ccccc3o2)cc1
InChIInChI=1S/C15H10BrNO/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-10H/b10-7+
InChIKeyQPGGIKDRONYDGM-JXMROGBWSA-N
MW300.16 g/mol
LogP4.76
Rot. Bonds2

About 2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole

2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole (PubChem CID 6215281) has the molecular formula C15H10BrNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole
PubChem CID6215281
Molecular FormulaC15H10BrNO
Molecular Weight300.16 g/mol
Exact Mass298.99
IUPAC Name2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole
SMILESBrc1ccc(/C=C/c2nc3ccccc3o2)cc1
InChIInChI=1S/C15H10BrNO/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-10H/b10-7+
InChIKeyQPGGIKDRONYDGM-JXMROGBWSA-N
XLogP4.76
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3147188
5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 59970333
4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline
CID 20692325
2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole
CID 5377707
2-[2-[3,5,6-tris[2-(1,3-benzoxazol-2-yl)ethenyl]pyrazin-2-yl]ethenyl]-1,3-benzoxazole
CID 57286159
4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline
CID 59970337
2-[(E)-2-(7-bromo-10-ethylphenothiazin-3-yl)ethenyl]-1,3-benzoxazole
CID 102131299
2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole
CID 6213131
2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 2729280
2-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]-1,3-benzoxazole
CID 155553595
2-[(E)-2-(4-bromophenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole
CID 9446993
4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol
CID 136810517

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole?
The IUPAC name of 2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole (CID 6215281) is 2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole is Brc1ccc(/C=C/c2nc3ccccc3o2)cc1.
What is the InChIKey of 2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole?
The InChIKey is QPGGIKDRONYDGM-JXMROGBWSA-N. The full InChI is InChI=1S/C15H10BrNO/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-10H/b10-7+.
What are the key properties of 2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole?
2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole has a molecular weight of 300.16 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 6215281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).