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

C14H9Cl2N3O — CID 23008191

IUPAC4-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1ccc(-c2nc(-c3cccc(Cl)c3Cl)no2)cc1
InChIInChI=1S/C14H9Cl2N3O/c15-11-3-1-2-10(12(11)16)13-18-14(20-19-13)8-4-6-9(17)7-5-8/h1-7H,17H2
InChIKeyFUQMMYCJDXDKLB-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.29
Rot. Bonds2

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

4-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 23008191) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 4-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name4-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID23008191
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name4-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1ccc(-c2nc(-c3cccc(Cl)c3Cl)no2)cc1
InChIInChI=1S/C14H9Cl2N3O/c15-11-3-1-2-10(12(11)16)13-18-14(20-19-13)8-4-6-9(17)7-5-8/h1-7H,17H2
InChIKeyFUQMMYCJDXDKLB-UHFFFAOYSA-N
XLogP4.29
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.29
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-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 4-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]aniline (CID 23008191) is 4-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 4-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 4-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]aniline is Nc1ccc(-c2nc(-c3cccc(Cl)c3Cl)no2)cc1.
What is the InChIKey of 4-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is FUQMMYCJDXDKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-11-3-1-2-10(12(11)16)13-18-14(20-19-13)8-4-6-9(17)7-5-8/h1-7H,17H2.
What are the key properties of 4-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
4-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 306.15 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 23008191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).