5-(4-chlorophenyl)-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole

C15H10Cl2N2O — CID 874773

IUPAC5-(4-chlorophenyl)-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(Cc3ccccc3Cl)no2)cc1
InChIInChI=1S/C15H10Cl2N2O/c16-12-7-5-10(6-8-12)15-18-14(19-20-15)9-11-3-1-2-4-13(11)17/h1-8H,9H2
InChIKeyBBROHWJWXWXHOO-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.63
Rot. Bonds3

About 5-(4-chlorophenyl)-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole

5-(4-chlorophenyl)-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 874773) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID874773
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name5-(4-chlorophenyl)-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(Cc3ccccc3Cl)no2)cc1
InChIInChI=1S/C15H10Cl2N2O/c16-12-7-5-10(6-8-12)15-18-14(19-20-15)9-11-3-1-2-4-13(11)17/h1-8H,9H2
InChIKeyBBROHWJWXWXHOO-UHFFFAOYSA-N
XLogP4.63
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole (CID 874773) is 5-(4-chlorophenyl)-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole is Clc1ccc(-c2nc(Cc3ccccc3Cl)no2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is BBROHWJWXWXHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-12-7-5-10(6-8-12)15-18-14(19-20-15)9-11-3-1-2-4-13(11)17/h1-8H,9H2.
What are the key properties of 5-(4-chlorophenyl)-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole?
5-(4-chlorophenyl)-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 305.16 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 874773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).