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

C22H19ClN2O — CID 101231199

IUPAC3-(3-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole
SMILESCc1ccc(C2(c3ccc(C)cc3)N=C(c3cccc(Cl)c3)NO2)cc1
InChIInChI=1S/C22H19ClN2O/c1-15-6-10-18(11-7-15)22(19-12-8-16(2)9-13-19)24-21(25-26-22)17-4-3-5-20(23)14-17/h3-14H,1-2H3,(H,24,25)
InChIKeyQDQJRCMHOUDHOE-UHFFFAOYSA-N
MW362.86 g/mol
LogP5.14
Rot. Bonds3

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

3-(3-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole (PubChem CID 101231199) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole
PubChem CID101231199
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name3-(3-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole
SMILESCc1ccc(C2(c3ccc(C)cc3)N=C(c3cccc(Cl)c3)NO2)cc1
InChIInChI=1S/C22H19ClN2O/c1-15-6-10-18(11-7-15)22(19-12-8-16(2)9-13-19)24-21(25-26-22)17-4-3-5-20(23)14-17/h3-14H,1-2H3,(H,24,25)
InChIKeyQDQJRCMHOUDHOE-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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Related Compounds

3,5,5-Triphenyl-4,5-dihydro-1,2,4-oxadiazole
CID 1820203
N'-[1-(3-chlorophenyl)-2,2,2-trifluoro-1-hydroxyethyl]-4-methylbenzenecarboximidamide
CID 178047365
3-(4-methylphenyl)-5,5-diphenyl-2H-1,2,4-oxadiazole
CID 85837750
3-(3-chlorophenyl)-5,5-diphenyl-2H-1,2,4-oxadiazole
CID 85837759
5,5-bis(4-methylphenyl)-3-phenyl-2H-1,2,4-oxadiazole
CID 85837763
3,5,5-tris(4-methylphenyl)-2H-1,2,4-oxadiazole
CID 85837765
3-(4-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole
CID 101231200
5-[3-(3-Chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
CID 57911547
3-(4-tert-butylphenyl)-5-methyl-5-phenyl-2H-1,2,4-oxadiazole
CID 60085058
17'-(3-Chlorophenyl)-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine
CID 91308929
5-(3-Chlorophenyl)-3-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 167105462
5-butyl-3,5-diphenyl-2H-1,2,4-oxadiazole
CID 10989625

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole (CID 101231199) is 3-(3-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole is Cc1ccc(C2(c3ccc(C)cc3)N=C(c3cccc(Cl)c3)NO2)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole?
The InChIKey is QDQJRCMHOUDHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O/c1-15-6-10-18(11-7-15)22(19-12-8-16(2)9-13-19)24-21(25-26-22)17-4-3-5-20(23)14-17/h3-14H,1-2H3,(H,24,25).
What are the key properties of 3-(3-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole?
3-(3-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-(3-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole is sourced from PubChem (CID 101231199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).