5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole

C13H6Cl2FNO — CID 94980518

IUPAC5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole
SMILESFc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1
InChIInChI=1S/C13H6Cl2FNO/c14-8-5-10(15)12-11(6-8)17-13(18-12)7-1-3-9(16)4-2-7/h1-6H
InChIKeyNJSGPZNKHHPABG-UHFFFAOYSA-N
MW282.10 g/mol
LogP4.94
Rot. Bonds1

About 5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole

5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole (PubChem CID 94980518) has the molecular formula C13H6Cl2FNO and a molecular weight of 282.10 g/mol. Its IUPAC name is 5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole
PubChem CID94980518
Molecular FormulaC13H6Cl2FNO
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Name5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole
SMILESFc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1
InChIInChI=1S/C13H6Cl2FNO/c14-8-5-10(15)12-11(6-8)17-13(18-12)7-1-3-9(16)4-2-7/h1-6H
InChIKeyNJSGPZNKHHPABG-UHFFFAOYSA-N
XLogP4.94
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole?
The IUPAC name of 5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole (CID 94980518) is 5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole.
What is the SMILES notation for 5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole?
The canonical SMILES for 5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole is Fc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1.
What is the InChIKey of 5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole?
The InChIKey is NJSGPZNKHHPABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2FNO/c14-8-5-10(15)12-11(6-8)17-13(18-12)7-1-3-9(16)4-2-7/h1-6H.
What are the key properties of 5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole?
5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole has a molecular weight of 282.10 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole is sourced from PubChem (CID 94980518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).