5-(4-chlorophenyl)-5-methyl-3-(4-methylphenyl)-1,4,2-dioxazole

C16H14ClNO2 — CID 46193628

IUPAC5-(4-chlorophenyl)-5-methyl-3-(4-methylphenyl)-1,4,2-dioxazole
SMILESCc1ccc(C2=NOC(C)(c3ccc(Cl)cc3)O2)cc1
InChIInChI=1S/C16H14ClNO2/c1-11-3-5-12(6-4-11)15-18-20-16(2,19-15)13-7-9-14(17)10-8-13/h3-10H,1-2H3
InChIKeyNNWREWBZPZQPTE-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.23
Rot. Bonds2

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

5-(4-chlorophenyl)-5-methyl-3-(4-methylphenyl)-1,4,2-dioxazole (PubChem CID 46193628) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-5-methyl-3-(4-methylphenyl)-1,4,2-dioxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-5-methyl-3-(4-methylphenyl)-1,4,2-dioxazole
PubChem CID46193628
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name5-(4-chlorophenyl)-5-methyl-3-(4-methylphenyl)-1,4,2-dioxazole
SMILESCc1ccc(C2=NOC(C)(c3ccc(Cl)cc3)O2)cc1
InChIInChI=1S/C16H14ClNO2/c1-11-3-5-12(6-4-11)15-18-20-16(2,19-15)13-7-9-14(17)10-8-13/h3-10H,1-2H3
InChIKeyNNWREWBZPZQPTE-UHFFFAOYSA-N
XLogP4.23
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-5-methyl-3-(4-methylphenyl)-1,4,2-dioxazole?
The IUPAC name of 5-(4-chlorophenyl)-5-methyl-3-(4-methylphenyl)-1,4,2-dioxazole (CID 46193628) is 5-(4-chlorophenyl)-5-methyl-3-(4-methylphenyl)-1,4,2-dioxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-5-methyl-3-(4-methylphenyl)-1,4,2-dioxazole?
The canonical SMILES for 5-(4-chlorophenyl)-5-methyl-3-(4-methylphenyl)-1,4,2-dioxazole is Cc1ccc(C2=NOC(C)(c3ccc(Cl)cc3)O2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-5-methyl-3-(4-methylphenyl)-1,4,2-dioxazole?
The InChIKey is NNWREWBZPZQPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-11-3-5-12(6-4-11)15-18-20-16(2,19-15)13-7-9-14(17)10-8-13/h3-10H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-5-methyl-3-(4-methylphenyl)-1,4,2-dioxazole?
5-(4-chlorophenyl)-5-methyl-3-(4-methylphenyl)-1,4,2-dioxazole has a molecular weight of 287.75 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-5-methyl-3-(4-methylphenyl)-1,4,2-dioxazole is sourced from PubChem (CID 46193628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).