3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole

C9H6Cl2N2O — CID 107099625

IUPAC3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1c(Cl)cccc1-c1nc(Cl)no1
InChIInChI=1S/C9H6Cl2N2O/c1-5-6(3-2-4-7(5)10)8-12-9(11)13-14-8/h2-4H,1H3
InChIKeyZIZVQDSTPLXXGN-UHFFFAOYSA-N
MW229.07 g/mol
LogP3.35
Rot. Bonds1

About 3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole

3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 107099625) has the molecular formula C9H6Cl2N2O and a molecular weight of 229.07 g/mol. Its IUPAC name is 3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole
PubChem CID107099625
Molecular FormulaC9H6Cl2N2O
Molecular Weight229.07 g/mol
Exact Mass227.99
IUPAC Name3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1c(Cl)cccc1-c1nc(Cl)no1
InChIInChI=1S/C9H6Cl2N2O/c1-5-6(3-2-4-7(5)10)8-12-9(11)13-14-8/h2-4H,1H3
InChIKeyZIZVQDSTPLXXGN-UHFFFAOYSA-N
XLogP3.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole (CID 107099625) is 3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole is Cc1c(Cl)cccc1-c1nc(Cl)no1.
What is the InChIKey of 3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is ZIZVQDSTPLXXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O/c1-5-6(3-2-4-7(5)10)8-12-9(11)13-14-8/h2-4H,1H3.
What are the key properties of 3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole?
3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 229.07 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 107099625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).