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

C14H18Cl2N4O — CID 43331551

IUPAC2,4-dichloro-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]aniline
SMILESCCN(CC)CCc1noc(-c2cc(Cl)cc(Cl)c2N)n1
InChIInChI=1S/C14H18Cl2N4O/c1-3-20(4-2)6-5-12-18-14(21-19-12)10-7-9(15)8-11(16)13(10)17/h7-8H,3-6,17H2,1-2H3
InChIKeyRNKIQYBNWNICTB-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.51
Rot. Bonds6

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

2,4-dichloro-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 43331551) has the molecular formula C14H18Cl2N4O and a molecular weight of 329.23 g/mol. Its IUPAC name is 2,4-dichloro-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2,4-dichloro-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]aniline
PubChem CID43331551
Molecular FormulaC14H18Cl2N4O
Molecular Weight329.23 g/mol
Exact Mass328.09
IUPAC Name2,4-dichloro-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]aniline
SMILESCCN(CC)CCc1noc(-c2cc(Cl)cc(Cl)c2N)n1
InChIInChI=1S/C14H18Cl2N4O/c1-3-20(4-2)6-5-12-18-14(21-19-12)10-7-9(15)8-11(16)13(10)17/h7-8H,3-6,17H2,1-2H3
InChIKeyRNKIQYBNWNICTB-UHFFFAOYSA-N
XLogP3.51
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.51
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

2,4-dichloro-6-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 103146191
2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136712650
2,4-dichloro-6-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 103985752
2,4-dichloro-6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701908
2,4-dichloro-6-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116740580
3-chloro-4-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
CID 61398974
2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43331560
4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 104698797
2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile
CID 106523607
4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904374
2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol
CID 104938437
2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline
CID 107676133

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2,4-dichloro-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]aniline (CID 43331551) is 2,4-dichloro-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2,4-dichloro-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2,4-dichloro-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]aniline is CCN(CC)CCc1noc(-c2cc(Cl)cc(Cl)c2N)n1.
What is the InChIKey of 2,4-dichloro-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is RNKIQYBNWNICTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4O/c1-3-20(4-2)6-5-12-18-14(21-19-12)10-7-9(15)8-11(16)13(10)17/h7-8H,3-6,17H2,1-2H3.
What are the key properties of 2,4-dichloro-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]aniline?
2,4-dichloro-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 329.23 g/mol, XLogP of 3.51, 6 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-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 43331551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).