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

C13H15Cl2N3O2 — CID 116701908

IUPAC2,4-dichloro-6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCCOC(CC)c1noc(-c2cc(Cl)cc(Cl)c2N)n1
InChIInChI=1S/C13H15Cl2N3O2/c1-3-10(19-4-2)12-17-13(20-18-12)8-5-7(14)6-9(15)11(8)16/h5-6,10H,3-4,16H2,1-2H3
InChIKeyRXKKPFJSQLYMDA-UHFFFAOYSA-N
MW316.19 g/mol
LogP4.11
Rot. Bonds5

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

2,4-dichloro-6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 116701908) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 2,4-dichloro-6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2,4-dichloro-6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID116701908
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name2,4-dichloro-6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCCOC(CC)c1noc(-c2cc(Cl)cc(Cl)c2N)n1
InChIInChI=1S/C13H15Cl2N3O2/c1-3-10(19-4-2)12-17-13(20-18-12)8-5-7(14)6-9(15)11(8)16/h5-6,10H,3-4,16H2,1-2H3
InChIKeyRXKKPFJSQLYMDA-UHFFFAOYSA-N
XLogP4.11
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 54.11
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

5-chloro-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136965184
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 116702020
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 116702014
4-bromo-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116702036
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 116701873
2,4-dichloro-6-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116740580
3-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 116702314
2-[2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 116702123
2,4-dichloro-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 43331551
2,4-dichloro-6-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 103146191
5-chloro-2-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116704198
4-chloro-3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116704233

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2,4-dichloro-6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]aniline (CID 116701908) is 2,4-dichloro-6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2,4-dichloro-6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2,4-dichloro-6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]aniline is CCOC(CC)c1noc(-c2cc(Cl)cc(Cl)c2N)n1.
What is the InChIKey of 2,4-dichloro-6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is RXKKPFJSQLYMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c1-3-10(19-4-2)12-17-13(20-18-12)8-5-7(14)6-9(15)11(8)16/h5-6,10H,3-4,16H2,1-2H3.
What are the key properties of 2,4-dichloro-6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]aniline?
2,4-dichloro-6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 316.19 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 116701908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).