2-chloro-6-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline

C15H20ClN3O2 — CID 107051243

IUPAC2-chloro-6-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCCOC(CC)(CC)c1noc(-c2cccc(Cl)c2N)n1
InChIInChI=1S/C15H20ClN3O2/c1-4-15(5-2,20-6-3)14-18-13(21-19-14)10-8-7-9-11(16)12(10)17/h7-9H,4-6,17H2,1-3H3
InChIKeyGPWGWNDKSYOHMF-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.02
Rot. Bonds6

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

2-chloro-6-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 107051243) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-chloro-6-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-6-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID107051243
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-chloro-6-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCCOC(CC)(CC)c1noc(-c2cccc(Cl)c2N)n1
InChIInChI=1S/C15H20ClN3O2/c1-4-15(5-2,20-6-3)14-18-13(21-19-14)10-8-7-9-11(16)12(10)17/h7-9H,4-6,17H2,1-3H3
InChIKeyGPWGWNDKSYOHMF-UHFFFAOYSA-N
XLogP4.02
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-6-fluoroaniline
CID 116740874
3-chloro-2-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116741046
3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 116740948
[3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 116740949
2,4-dichloro-6-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116740580
5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 116740903
4-chloro-3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116740617
3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116741125
2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
CID 112707854
2-chloro-6-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107051211
5-(2-amino-3-chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 107051145
2-chloro-6-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107050902

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2-chloro-6-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline (CID 107051243) is 2-chloro-6-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-6-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2-chloro-6-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline is CCOC(CC)(CC)c1noc(-c2cccc(Cl)c2N)n1.
What is the InChIKey of 2-chloro-6-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is GPWGWNDKSYOHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-4-15(5-2,20-6-3)14-18-13(21-19-14)10-8-7-9-11(16)12(10)17/h7-9H,4-6,17H2,1-3H3.
What are the key properties of 2-chloro-6-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline?
2-chloro-6-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 309.80 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 107051243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).