5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline

C9H8ClN3O — CID 28529083

IUPAC5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1noc(-c2ccc(Cl)cc2N)n1
InChIInChI=1S/C9H8ClN3O/c1-5-12-9(14-13-5)7-3-2-6(10)4-8(7)11/h2-4H,11H2,1H3
InChIKeyLUIODZDMMODGEP-UHFFFAOYSA-N
MW209.64 g/mol
LogP2.28
Rot. Bonds1

About 5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline

5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 28529083) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound Name5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID28529083
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1noc(-c2ccc(Cl)cc2N)n1
InChIInChI=1S/C9H8ClN3O/c1-5-12-9(14-13-5)7-3-2-6(10)4-8(7)11/h2-4H,11H2,1H3
InChIKeyLUIODZDMMODGEP-UHFFFAOYSA-N
XLogP2.28
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 52.28
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

5-chloro-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104788809
5-chloro-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 79077569
5-chloro-2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62388389
5-chloro-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116807852
2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-chloroaniline
CID 65133912
5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62945327
5-chloro-2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63094638
5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701313
5-chloro-2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116702480
5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 102949514
5-chloro-2-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116704198
5-chloro-2-(1,3-oxazol-2-yl)aniline
CID 59485553

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of 5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (CID 28529083) is 5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for 5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for 5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is Cc1noc(-c2ccc(Cl)cc2N)n1.
What is the InChIKey of 5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is LUIODZDMMODGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-5-12-9(14-13-5)7-3-2-6(10)4-8(7)11/h2-4H,11H2,1H3.
What are the key properties of 5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 209.64 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 28529083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).