5-phenyl-3-[4-(5-phenyl-1,4,2-dioxazol-3-yl)phenyl]-1,4,2-dioxazole

C22H16N2O4 — CID 44516438

IUPAC5-phenyl-3-[4-(5-phenyl-1,4,2-dioxazol-3-yl)phenyl]-1,4,2-dioxazole
SMILESc1ccc(C2ON=C(c3ccc(C4=NOC(c5ccccc5)O4)cc3)O2)cc1
InChIInChI=1S/C22H16N2O4/c1-3-7-17(8-4-1)21-25-19(23-27-21)15-11-13-16(14-12-15)20-24-28-22(26-20)18-9-5-2-6-10-18/h1-14,21-22H
InChIKeyHSFOIUZEWJQHSN-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.50
Rot. Bonds4

About 5-phenyl-3-[4-(5-phenyl-1,4,2-dioxazol-3-yl)phenyl]-1,4,2-dioxazole

5-phenyl-3-[4-(5-phenyl-1,4,2-dioxazol-3-yl)phenyl]-1,4,2-dioxazole (PubChem CID 44516438) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-phenyl-3-[4-(5-phenyl-1,4,2-dioxazol-3-yl)phenyl]-1,4,2-dioxazole.

Molecular Properties

Compound Name5-phenyl-3-[4-(5-phenyl-1,4,2-dioxazol-3-yl)phenyl]-1,4,2-dioxazole
PubChem CID44516438
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name5-phenyl-3-[4-(5-phenyl-1,4,2-dioxazol-3-yl)phenyl]-1,4,2-dioxazole
SMILESc1ccc(C2ON=C(c3ccc(C4=NOC(c5ccccc5)O4)cc3)O2)cc1
InChIInChI=1S/C22H16N2O4/c1-3-7-17(8-4-1)21-25-19(23-27-21)15-11-13-16(14-12-15)20-24-28-22(26-20)18-9-5-2-6-10-18/h1-14,21-22H
InChIKeyHSFOIUZEWJQHSN-UHFFFAOYSA-N
XLogP4.50
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[4-(5-phenyl-1,4,2-dioxazol-3-yl)phenyl]-1,4,2-dioxazole?
The IUPAC name of 5-phenyl-3-[4-(5-phenyl-1,4,2-dioxazol-3-yl)phenyl]-1,4,2-dioxazole (CID 44516438) is 5-phenyl-3-[4-(5-phenyl-1,4,2-dioxazol-3-yl)phenyl]-1,4,2-dioxazole.
What is the SMILES notation for 5-phenyl-3-[4-(5-phenyl-1,4,2-dioxazol-3-yl)phenyl]-1,4,2-dioxazole?
The canonical SMILES for 5-phenyl-3-[4-(5-phenyl-1,4,2-dioxazol-3-yl)phenyl]-1,4,2-dioxazole is c1ccc(C2ON=C(c3ccc(C4=NOC(c5ccccc5)O4)cc3)O2)cc1.
What is the InChIKey of 5-phenyl-3-[4-(5-phenyl-1,4,2-dioxazol-3-yl)phenyl]-1,4,2-dioxazole?
The InChIKey is HSFOIUZEWJQHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c1-3-7-17(8-4-1)21-25-19(23-27-21)15-11-13-16(14-12-15)20-24-28-22(26-20)18-9-5-2-6-10-18/h1-14,21-22H.
What are the key properties of 5-phenyl-3-[4-(5-phenyl-1,4,2-dioxazol-3-yl)phenyl]-1,4,2-dioxazole?
5-phenyl-3-[4-(5-phenyl-1,4,2-dioxazol-3-yl)phenyl]-1,4,2-dioxazole has a molecular weight of 372.38 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[4-(5-phenyl-1,4,2-dioxazol-3-yl)phenyl]-1,4,2-dioxazole is sourced from PubChem (CID 44516438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).