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

C24H20N2O4 — CID 44516440

IUPAC5-(4-methylphenyl)-3-[4-[5-(4-methylphenyl)-1,4,2-dioxazol-3-yl]phenyl]-1,4,2-dioxazole
SMILESCc1ccc(C2ON=C(c3ccc(C4=NOC(c5ccc(C)cc5)O4)cc3)O2)cc1
InChIInChI=1S/C24H20N2O4/c1-15-3-7-19(8-4-15)23-27-21(25-29-23)17-11-13-18(14-12-17)22-26-30-24(28-22)20-9-5-16(2)6-10-20/h3-14,23-24H,1-2H3
InChIKeyQLVPZJJUAQFCIZ-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.12
Rot. Bonds4

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

5-(4-methylphenyl)-3-[4-[5-(4-methylphenyl)-1,4,2-dioxazol-3-yl]phenyl]-1,4,2-dioxazole (PubChem CID 44516440) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-[4-[5-(4-methylphenyl)-1,4,2-dioxazol-3-yl]phenyl]-1,4,2-dioxazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-[4-[5-(4-methylphenyl)-1,4,2-dioxazol-3-yl]phenyl]-1,4,2-dioxazole
PubChem CID44516440
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name5-(4-methylphenyl)-3-[4-[5-(4-methylphenyl)-1,4,2-dioxazol-3-yl]phenyl]-1,4,2-dioxazole
SMILESCc1ccc(C2ON=C(c3ccc(C4=NOC(c5ccc(C)cc5)O4)cc3)O2)cc1
InChIInChI=1S/C24H20N2O4/c1-15-3-7-19(8-4-15)23-27-21(25-29-23)17-11-13-18(14-12-17)22-26-30-24(28-22)20-9-5-16(2)6-10-20/h3-14,23-24H,1-2H3
InChIKeyQLVPZJJUAQFCIZ-UHFFFAOYSA-N
XLogP5.12
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-[4-[5-(4-methylphenyl)-1,4,2-dioxazol-3-yl]phenyl]-1,4,2-dioxazole?
The IUPAC name of 5-(4-methylphenyl)-3-[4-[5-(4-methylphenyl)-1,4,2-dioxazol-3-yl]phenyl]-1,4,2-dioxazole (CID 44516440) is 5-(4-methylphenyl)-3-[4-[5-(4-methylphenyl)-1,4,2-dioxazol-3-yl]phenyl]-1,4,2-dioxazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-[4-[5-(4-methylphenyl)-1,4,2-dioxazol-3-yl]phenyl]-1,4,2-dioxazole?
The canonical SMILES for 5-(4-methylphenyl)-3-[4-[5-(4-methylphenyl)-1,4,2-dioxazol-3-yl]phenyl]-1,4,2-dioxazole is Cc1ccc(C2ON=C(c3ccc(C4=NOC(c5ccc(C)cc5)O4)cc3)O2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-[4-[5-(4-methylphenyl)-1,4,2-dioxazol-3-yl]phenyl]-1,4,2-dioxazole?
The InChIKey is QLVPZJJUAQFCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-15-3-7-19(8-4-15)23-27-21(25-29-23)17-11-13-18(14-12-17)22-26-30-24(28-22)20-9-5-16(2)6-10-20/h3-14,23-24H,1-2H3.
What are the key properties of 5-(4-methylphenyl)-3-[4-[5-(4-methylphenyl)-1,4,2-dioxazol-3-yl]phenyl]-1,4,2-dioxazole?
5-(4-methylphenyl)-3-[4-[5-(4-methylphenyl)-1,4,2-dioxazol-3-yl]phenyl]-1,4,2-dioxazole has a molecular weight of 400.43 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-[4-[5-(4-methylphenyl)-1,4,2-dioxazol-3-yl]phenyl]-1,4,2-dioxazole is sourced from PubChem (CID 44516440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).