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

C14H9Cl2N3O — CID 43525094

IUPAC4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
SMILESNc1ccc(-c2noc(-c3cc(Cl)cc(Cl)c3)n2)cc1
InChIInChI=1S/C14H9Cl2N3O/c15-10-5-9(6-11(16)7-10)14-18-13(19-20-14)8-1-3-12(17)4-2-8/h1-7H,17H2
InChIKeyOBFQMYKTHSMXPE-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.29
Rot. Bonds2

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

4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline (PubChem CID 43525094) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
PubChem CID43525094
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
SMILESNc1ccc(-c2noc(-c3cc(Cl)cc(Cl)c3)n2)cc1
InChIInChI=1S/C14H9Cl2N3O/c15-10-5-9(6-11(16)7-10)14-18-13(19-20-14)8-1-3-12(17)4-2-8/h1-7H,17H2
InChIKeyOBFQMYKTHSMXPE-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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Related Compounds

3-chloro-5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 106847325
4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103763599
4-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 63195043
2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888710
4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525136
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 60836564
5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811657
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888720
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-chloroaniline
CID 60862549
5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole
CID 97058010
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63260076

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline (CID 43525094) is 4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline is Nc1ccc(-c2noc(-c3cc(Cl)cc(Cl)c3)n2)cc1.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline?
The InChIKey is OBFQMYKTHSMXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-10-5-9(6-11(16)7-10)14-18-13(19-20-14)8-1-3-12(17)4-2-8/h1-7H,17H2.
What are the key properties of 4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline?
4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-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-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline is sourced from PubChem (CID 43525094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).