5-benzyl-3-(2-fluorophenyl)-1,4,2-dioxazole

C15H12FNO2 — CID 71561451

IUPAC5-benzyl-3-(2-fluorophenyl)-1,4,2-dioxazole
SMILESFc1ccccc1C1=NOC(Cc2ccccc2)O1
InChIInChI=1S/C15H12FNO2/c16-13-9-5-4-8-12(13)15-17-19-14(18-15)10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyDHOKDAQOBRLGDA-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.10
Rot. Bonds3

About 5-benzyl-3-(2-fluorophenyl)-1,4,2-dioxazole

5-benzyl-3-(2-fluorophenyl)-1,4,2-dioxazole (PubChem CID 71561451) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 5-benzyl-3-(2-fluorophenyl)-1,4,2-dioxazole.

Molecular Properties

Compound Name5-benzyl-3-(2-fluorophenyl)-1,4,2-dioxazole
PubChem CID71561451
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name5-benzyl-3-(2-fluorophenyl)-1,4,2-dioxazole
SMILESFc1ccccc1C1=NOC(Cc2ccccc2)O1
InChIInChI=1S/C15H12FNO2/c16-13-9-5-4-8-12(13)15-17-19-14(18-15)10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyDHOKDAQOBRLGDA-UHFFFAOYSA-N
XLogP3.10
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(2-fluorophenyl)-1,4,2-dioxazole?
The IUPAC name of 5-benzyl-3-(2-fluorophenyl)-1,4,2-dioxazole (CID 71561451) is 5-benzyl-3-(2-fluorophenyl)-1,4,2-dioxazole.
What is the SMILES notation for 5-benzyl-3-(2-fluorophenyl)-1,4,2-dioxazole?
The canonical SMILES for 5-benzyl-3-(2-fluorophenyl)-1,4,2-dioxazole is Fc1ccccc1C1=NOC(Cc2ccccc2)O1.
What is the InChIKey of 5-benzyl-3-(2-fluorophenyl)-1,4,2-dioxazole?
The InChIKey is DHOKDAQOBRLGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c16-13-9-5-4-8-12(13)15-17-19-14(18-15)10-11-6-2-1-3-7-11/h1-9,14H,10H2.
What are the key properties of 5-benzyl-3-(2-fluorophenyl)-1,4,2-dioxazole?
5-benzyl-3-(2-fluorophenyl)-1,4,2-dioxazole has a molecular weight of 257.26 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(2-fluorophenyl)-1,4,2-dioxazole is sourced from PubChem (CID 71561451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).