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

C14H10ClNO2 — CID 15257619

IUPAC5-(2-chlorophenyl)-3-phenyl-1,4,2-dioxazole
SMILESClc1ccccc1C1ON=C(c2ccccc2)O1
InChIInChI=1S/C14H10ClNO2/c15-12-9-5-4-8-11(12)14-17-13(16-18-14)10-6-2-1-3-7-10/h1-9,14H
InChIKeyNVEWNOWOLAFTHW-UHFFFAOYSA-N
MW259.69 g/mol
LogP3.75
Rot. Bonds2

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

5-(2-chlorophenyl)-3-phenyl-1,4,2-dioxazole (PubChem CID 15257619) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-phenyl-1,4,2-dioxazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-phenyl-1,4,2-dioxazole
PubChem CID15257619
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name5-(2-chlorophenyl)-3-phenyl-1,4,2-dioxazole
SMILESClc1ccccc1C1ON=C(c2ccccc2)O1
InChIInChI=1S/C14H10ClNO2/c15-12-9-5-4-8-11(12)14-17-13(16-18-14)10-6-2-1-3-7-10/h1-9,14H
InChIKeyNVEWNOWOLAFTHW-UHFFFAOYSA-N
XLogP3.75
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-phenyl-1,4,2-dioxazole?
The IUPAC name of 5-(2-chlorophenyl)-3-phenyl-1,4,2-dioxazole (CID 15257619) is 5-(2-chlorophenyl)-3-phenyl-1,4,2-dioxazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-phenyl-1,4,2-dioxazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-phenyl-1,4,2-dioxazole is Clc1ccccc1C1ON=C(c2ccccc2)O1.
What is the InChIKey of 5-(2-chlorophenyl)-3-phenyl-1,4,2-dioxazole?
The InChIKey is NVEWNOWOLAFTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-12-9-5-4-8-11(12)14-17-13(16-18-14)10-6-2-1-3-7-10/h1-9,14H.
What are the key properties of 5-(2-chlorophenyl)-3-phenyl-1,4,2-dioxazole?
5-(2-chlorophenyl)-3-phenyl-1,4,2-dioxazole has a molecular weight of 259.69 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-phenyl-1,4,2-dioxazole is sourced from PubChem (CID 15257619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).