2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline

C15H11Cl2N3O — CID 43331560

IUPAC2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCc1ccccc1-c1noc(-c2cc(Cl)cc(Cl)c2N)n1
InChIInChI=1S/C15H11Cl2N3O/c1-8-4-2-3-5-10(8)14-19-15(21-20-14)11-6-9(16)7-12(17)13(11)18/h2-7H,18H2,1H3
InChIKeyPXRCHGGEKIRNLY-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.60
Rot. Bonds2

About 2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline

2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 43331560) has the molecular formula C15H11Cl2N3O and a molecular weight of 320.18 g/mol. Its IUPAC name is 2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID43331560
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.18 g/mol
Exact Mass319.03
IUPAC Name2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCc1ccccc1-c1noc(-c2cc(Cl)cc(Cl)c2N)n1
InChIInChI=1S/C15H11Cl2N3O/c1-8-4-2-3-5-10(8)14-19-15(21-20-14)11-6-9(16)7-12(17)13(11)18/h2-7H,18H2,1H3
InChIKeyPXRCHGGEKIRNLY-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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Related Compounds

4,5-difluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62865373
3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43443181
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline
CID 62945325
3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
CID 79390914
5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 55165620
5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63615796
3-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 100558702
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62786736
2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872205
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 2480918
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104742918
2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline
CID 60930451

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline (CID 43331560) is 2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline is Cc1ccccc1-c1noc(-c2cc(Cl)cc(Cl)c2N)n1.
What is the InChIKey of 2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is PXRCHGGEKIRNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O/c1-8-4-2-3-5-10(8)14-19-15(21-20-14)11-6-9(16)7-12(17)13(11)18/h2-7H,18H2,1H3.
What are the key properties of 2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline 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 2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 43331560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).