3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine

C8H5Cl2N3O — CID 2726389

IUPAC3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine
SMILESNc1nc(-c2c(Cl)cccc2Cl)no1
InChIInChI=1S/C8H5Cl2N3O/c9-4-2-1-3-5(10)6(4)7-12-8(11)14-13-7/h1-3H,(H2,11,12,13)
InChIKeyHXTIDVDZAFYNDR-UHFFFAOYSA-N
MW230.05 g/mol
LogP2.63
Rot. Bonds1

About 3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine

3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 2726389) has the molecular formula C8H5Cl2N3O and a molecular weight of 230.05 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine
PubChem CID2726389
Molecular FormulaC8H5Cl2N3O
Molecular Weight230.05 g/mol
Exact Mass228.98
IUPAC Name3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine
SMILESNc1nc(-c2c(Cl)cccc2Cl)no1
InChIInChI=1S/C8H5Cl2N3O/c9-4-2-1-3-5(10)6(4)7-12-8(11)14-13-7/h1-3H,(H2,11,12,13)
InChIKeyHXTIDVDZAFYNDR-UHFFFAOYSA-N
XLogP2.63
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine (CID 2726389) is 3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine is Nc1nc(-c2c(Cl)cccc2Cl)no1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is HXTIDVDZAFYNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N3O/c9-4-2-1-3-5(10)6(4)7-12-8(11)14-13-7/h1-3H,(H2,11,12,13).
What are the key properties of 3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine?
3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 230.05 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 2726389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).