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

C14H10ClN3O — CID 43329885

IUPAC2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1ccccc1-c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C14H10ClN3O/c15-10-5-3-4-9(8-10)13-17-14(19-18-13)11-6-1-2-7-12(11)16/h1-8H,16H2
InChIKeyURROGKCRUZAESA-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.64
Rot. Bonds2

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

2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 43329885) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID43329885
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1ccccc1-c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C14H10ClN3O/c15-10-5-3-4-9(8-10)13-17-14(19-18-13)11-6-1-2-7-12(11)16/h1-8H,16H2
InChIKeyURROGKCRUZAESA-UHFFFAOYSA-N
XLogP3.64
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63113341
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43152104
2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888709
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 63652636
3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 25264646
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 82810045
5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 64527311
2-[5-(3-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103825966
4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503322
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
2-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114329249
3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 42585238

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline (CID 43329885) is 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline is Nc1ccccc1-c1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is URROGKCRUZAESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-10-5-3-4-9(8-10)13-17-14(19-18-13)11-6-1-2-7-12(11)16/h1-8H,16H2.
What are the key properties of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 271.71 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 43329885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).