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

C15H12ClN3O2 — CID 30029346

IUPAC2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
SMILESNc1ccccc1OCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H12ClN3O2/c16-11-7-5-10(6-8-11)15-18-14(21-19-15)9-20-13-4-2-1-3-12(13)17/h1-8H,9,17H2
InChIKeyJLQLEAVNSIGZOX-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.55
Rot. Bonds4

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

2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline (PubChem CID 30029346) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
PubChem CID30029346
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
SMILESNc1ccccc1OCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H12ClN3O2/c16-11-7-5-10(6-8-11)15-18-14(21-19-15)9-20-13-4-2-1-3-12(13)17/h1-8H,9,17H2
InChIKeyJLQLEAVNSIGZOX-UHFFFAOYSA-N
XLogP3.55
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]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-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029327
2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 63746874
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 62535165
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenoxy)acetate
CID 8521021
2-[[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]aniline
CID 66487832
5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 7611454
3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
CID 4795932
5-[(2-bromo-4-methylphenoxy)methyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 987928
5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 16595326
5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole
CID 873913
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 8607117
5-[(2-chloro-4-phenylphenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 18290343

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The IUPAC name of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline (CID 30029346) is 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline is Nc1ccccc1OCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The InChIKey is JLQLEAVNSIGZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-11-7-5-10(6-8-11)15-18-14(21-19-15)9-20-13-4-2-1-3-12(13)17/h1-8H,9,17H2.
What are the key properties of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline has a molecular weight of 301.73 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline is sourced from PubChem (CID 30029346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).