3-(3-chlorophenyl)-5-(4-ethylphenyl)-1,4,2-dioxazole

C16H14ClNO2 — CID 25268222

IUPAC3-(3-chlorophenyl)-5-(4-ethylphenyl)-1,4,2-dioxazole
SMILESCCc1ccc(C2ON=C(c3cccc(Cl)c3)O2)cc1
InChIInChI=1S/C16H14ClNO2/c1-2-11-6-8-12(9-7-11)16-19-15(18-20-16)13-4-3-5-14(17)10-13/h3-10,16H,2H2,1H3
InChIKeyKSKZRZAUHCLOKF-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.31
Rot. Bonds3

About 3-(3-chlorophenyl)-5-(4-ethylphenyl)-1,4,2-dioxazole

3-(3-chlorophenyl)-5-(4-ethylphenyl)-1,4,2-dioxazole (PubChem CID 25268222) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-(4-ethylphenyl)-1,4,2-dioxazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-(4-ethylphenyl)-1,4,2-dioxazole
PubChem CID25268222
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name3-(3-chlorophenyl)-5-(4-ethylphenyl)-1,4,2-dioxazole
SMILESCCc1ccc(C2ON=C(c3cccc(Cl)c3)O2)cc1
InChIInChI=1S/C16H14ClNO2/c1-2-11-6-8-12(9-7-11)16-19-15(18-20-16)13-4-3-5-14(17)10-13/h3-10,16H,2H2,1H3
InChIKeyKSKZRZAUHCLOKF-UHFFFAOYSA-N
XLogP4.31
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-(4-ethylphenyl)-1,4,2-dioxazole?
The IUPAC name of 3-(3-chlorophenyl)-5-(4-ethylphenyl)-1,4,2-dioxazole (CID 25268222) is 3-(3-chlorophenyl)-5-(4-ethylphenyl)-1,4,2-dioxazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-(4-ethylphenyl)-1,4,2-dioxazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-(4-ethylphenyl)-1,4,2-dioxazole is CCc1ccc(C2ON=C(c3cccc(Cl)c3)O2)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-5-(4-ethylphenyl)-1,4,2-dioxazole?
The InChIKey is KSKZRZAUHCLOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-2-11-6-8-12(9-7-11)16-19-15(18-20-16)13-4-3-5-14(17)10-13/h3-10,16H,2H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-5-(4-ethylphenyl)-1,4,2-dioxazole?
3-(3-chlorophenyl)-5-(4-ethylphenyl)-1,4,2-dioxazole has a molecular weight of 287.75 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-(4-ethylphenyl)-1,4,2-dioxazole is sourced from PubChem (CID 25268222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).