5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole

C15H9ClFNO — CID 6214674

IUPAC5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole
SMILESFc1ccc(/C=C/c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C15H9ClFNO/c16-11-4-7-14-13(9-11)18-15(19-14)8-3-10-1-5-12(17)6-2-10/h1-9H/b8-3+
InChIKeyUOMQIROXFWLLSS-FPYGCLRLSA-N
MW273.69 g/mol
LogP4.79
Rot. Bonds2

About 5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole

5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole (PubChem CID 6214674) has the molecular formula C15H9ClFNO and a molecular weight of 273.69 g/mol. Its IUPAC name is 5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole
PubChem CID6214674
Molecular FormulaC15H9ClFNO
Molecular Weight273.69 g/mol
Exact Mass273.04
IUPAC Name5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole
SMILESFc1ccc(/C=C/c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C15H9ClFNO/c16-11-4-7-14-13(9-11)18-15(19-14)8-3-10-1-5-12(17)6-2-10/h1-9H/b8-3+
InChIKeyUOMQIROXFWLLSS-FPYGCLRLSA-N
XLogP4.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole (CID 6214674) is 5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole is Fc1ccc(/C=C/c2nc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of 5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole?
The InChIKey is UOMQIROXFWLLSS-FPYGCLRLSA-N. The full InChI is InChI=1S/C15H9ClFNO/c16-11-4-7-14-13(9-11)18-15(19-14)8-3-10-1-5-12(17)6-2-10/h1-9H/b8-3+.
What are the key properties of 5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole?
5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole has a molecular weight of 273.69 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 6214674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).