4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline

C15H11Cl2N3O — CID 81494253

IUPAC4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
SMILESCc1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)ccc1N
InChIInChI=1S/C15H11Cl2N3O/c1-8-6-10(3-5-13(8)18)15-19-14(20-21-15)9-2-4-11(16)12(17)7-9/h2-7H,18H2,1H3
InChIKeyUWIPYJZRRDZOCH-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.60
Rot. Bonds2

About 4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline

4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline (PubChem CID 81494253) has the molecular formula C15H11Cl2N3O and a molecular weight of 320.18 g/mol. Its IUPAC name is 4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline.

Molecular Properties

Compound Name4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
PubChem CID81494253
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.18 g/mol
Exact Mass319.03
IUPAC Name4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
SMILESCc1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)ccc1N
InChIInChI=1S/C15H11Cl2N3O/c1-8-6-10(3-5-13(8)18)15-19-14(20-21-15)9-2-4-11(16)12(17)7-9/h2-7H,18H2,1H3
InChIKeyUWIPYJZRRDZOCH-UHFFFAOYSA-N
XLogP4.60
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
The IUPAC name of 4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline (CID 81494253) is 4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline.
What is the SMILES notation for 4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
The canonical SMILES for 4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline is Cc1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)ccc1N.
What is the InChIKey of 4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
The InChIKey is UWIPYJZRRDZOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O/c1-8-6-10(3-5-13(8)18)15-19-14(20-21-15)9-2-4-11(16)12(17)7-9/h2-7H,18H2,1H3.
What are the key properties of 4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline has a molecular weight of 320.18 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline is sourced from PubChem (CID 81494253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).