3-(4-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole

C22H19ClN2O — CID 101231200

IUPAC3-(4-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole
SMILESCc1ccc(C2(c3ccc(C)cc3)N=C(c3ccc(Cl)cc3)NO2)cc1
InChIInChI=1S/C22H19ClN2O/c1-15-3-9-18(10-4-15)22(19-11-5-16(2)6-12-19)24-21(25-26-22)17-7-13-20(23)14-8-17/h3-14H,1-2H3,(H,24,25)
InChIKeyGWLDOALRVHOPQY-UHFFFAOYSA-N
MW362.86 g/mol
LogP5.14
Rot. Bonds3

About 3-(4-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole

3-(4-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole (PubChem CID 101231200) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole
PubChem CID101231200
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name3-(4-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole
SMILESCc1ccc(C2(c3ccc(C)cc3)N=C(c3ccc(Cl)cc3)NO2)cc1
InChIInChI=1S/C22H19ClN2O/c1-15-3-9-18(10-4-15)22(19-11-5-16(2)6-12-19)24-21(25-26-22)17-7-13-20(23)14-8-17/h3-14H,1-2H3,(H,24,25)
InChIKeyGWLDOALRVHOPQY-UHFFFAOYSA-N
XLogP5.14
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole (CID 101231200) is 3-(4-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole is Cc1ccc(C2(c3ccc(C)cc3)N=C(c3ccc(Cl)cc3)NO2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole?
The InChIKey is GWLDOALRVHOPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O/c1-15-3-9-18(10-4-15)22(19-11-5-16(2)6-12-19)24-21(25-26-22)17-7-13-20(23)14-8-17/h3-14H,1-2H3,(H,24,25).
What are the key properties of 3-(4-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole has a molecular weight of 362.86 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole is sourced from PubChem (CID 101231200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).