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

C15H9Cl2NO — CID 3767247

IUPAC2-[2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole
SMILESClc1ccc(C=Cc2nc3ccccc3o2)c(Cl)c1
InChIInChI=1S/C15H9Cl2NO/c16-11-7-5-10(12(17)9-11)6-8-15-18-13-3-1-2-4-14(13)19-15/h1-9H
InChIKeyCGSZVEMSWPKGIS-UHFFFAOYSA-N
MW290.15 g/mol
LogP5.30
Rot. Bonds2

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

2-[2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole (PubChem CID 3767247) has the molecular formula C15H9Cl2NO and a molecular weight of 290.15 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole
PubChem CID3767247
Molecular FormulaC15H9Cl2NO
Molecular Weight290.15 g/mol
Exact Mass289.01
IUPAC Name2-[2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole
SMILESClc1ccc(C=Cc2nc3ccccc3o2)c(Cl)c1
InChIInChI=1S/C15H9Cl2NO/c16-11-7-5-10(12(17)9-11)6-8-15-18-13-3-1-2-4-14(13)19-15/h1-9H
InChIKeyCGSZVEMSWPKGIS-UHFFFAOYSA-N
XLogP5.30
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.15
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[3,5,6-tris[2-(1,3-benzoxazol-2-yl)ethenyl]pyrazin-2-yl]ethenyl]-1,3-benzoxazole
CID 57286159
2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole
CID 6218469
5-chloro-2-[(E)-2-quinoxalin-2-ylethenyl]-1,3-benzoxazole
CID 9030692
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 18083405
2,4-dichloro-1-(2-phenylethenyl)benzene
CID 66779322
4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3147188
2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole
CID 6215281
2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole
CID 6213131
5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole
CID 6214674
4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol
CID 136810517
2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine
CID 11425351
2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole
CID 18083407

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole (CID 3767247) is 2-[2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole is Clc1ccc(C=Cc2nc3ccccc3o2)c(Cl)c1.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole?
The InChIKey is CGSZVEMSWPKGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO/c16-11-7-5-10(12(17)9-11)6-8-15-18-13-3-1-2-4-14(13)19-15/h1-9H.
What are the key properties of 2-[2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole?
2-[2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole has a molecular weight of 290.15 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 3767247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).