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

C15H18ClN3O — CID 65412866

IUPAC4-chloro-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCCC1CCC(c2noc(-c3cc(N)ccc3Cl)n2)C1
InChIInChI=1S/C15H18ClN3O/c1-2-9-3-4-10(7-9)14-18-15(20-19-14)12-8-11(17)5-6-13(12)16/h5-6,8-10H,2-4,7,17H2,1H3
InChIKeyGASSTOZHUPJGLI-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.27
Rot. Bonds3

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

4-chloro-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 65412866) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-chloro-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name4-chloro-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID65412866
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-chloro-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCCC1CCC(c2noc(-c3cc(N)ccc3Cl)n2)C1
InChIInChI=1S/C15H18ClN3O/c1-2-9-3-4-10(7-9)14-18-15(20-19-14)12-8-11(17)5-6-13(12)16/h5-6,8-10H,2-4,7,17H2,1H3
InChIKeyGASSTOZHUPJGLI-UHFFFAOYSA-N
XLogP4.27
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-3-[3-(3-ethylcyclopentyl)-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-chloro-6-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107050902
4-bromo-3-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 115296591
2-[2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65412676
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904152
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethylaniline
CID 65413071
4-chloro-3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107925252
5-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 65412668
4-bromo-2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885773
2-[4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65415299
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 65414294
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile
CID 106524958
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 65414293

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 4-chloro-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline (CID 65412866) is 4-chloro-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 4-chloro-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 4-chloro-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline is CCC1CCC(c2noc(-c3cc(N)ccc3Cl)n2)C1.
What is the InChIKey of 4-chloro-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is GASSTOZHUPJGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-2-9-3-4-10(7-9)14-18-15(20-19-14)12-8-11(17)5-6-13(12)16/h5-6,8-10H,2-4,7,17H2,1H3.
What are the key properties of 4-chloro-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline?
4-chloro-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 291.78 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 65412866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).