2-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazole

C9H6Cl2N2O — CID 91191768

IUPAC2-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazole
SMILESClc1cccc(Cl)c1Cc1nnco1
InChIInChI=1S/C9H6Cl2N2O/c10-7-2-1-3-8(11)6(7)4-9-13-12-5-14-9/h1-3,5H,4H2
InChIKeyJYGMUBRKVZPSKS-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.97
Rot. Bonds2

About 2-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazole

2-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazole (PubChem CID 91191768) has the molecular formula C9H6Cl2N2O and a molecular weight of 229.07 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazole
PubChem CID91191768
Molecular FormulaC9H6Cl2N2O
Molecular Weight229.07 g/mol
Exact Mass227.99
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazole
SMILESClc1cccc(Cl)c1Cc1nnco1
InChIInChI=1S/C9H6Cl2N2O/c10-7-2-1-3-8(11)6(7)4-9-13-12-5-14-9/h1-3,5H,4H2
InChIKeyJYGMUBRKVZPSKS-UHFFFAOYSA-N
XLogP2.97
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazole (CID 91191768) is 2-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazole is Clc1cccc(Cl)c1Cc1nnco1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is JYGMUBRKVZPSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O/c10-7-2-1-3-8(11)6(7)4-9-13-12-5-14-9/h1-3,5H,4H2.
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazole?
2-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 229.07 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 91191768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).