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

C16H12Cl2N2O — CID 59937379

IUPAC2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3ccc(C)cc3Cl)o2)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2O/c1-9-3-5-11(13(17)7-9)15-19-20-16(21-15)12-6-4-10(2)8-14(12)18/h3-8H,1-2H3
InChIKeySXOJBWGPRVLBAX-UHFFFAOYSA-N
MW319.19 g/mol
LogP5.33
Rot. Bonds2

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

2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 59937379) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
PubChem CID59937379
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3ccc(C)cc3Cl)o2)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2O/c1-9-3-5-11(13(17)7-9)15-19-20-16(21-15)12-6-4-10(2)8-14(12)18/h3-8H,1-2H3
InChIKeySXOJBWGPRVLBAX-UHFFFAOYSA-N
XLogP5.33
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.19
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole (CID 59937379) is 2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3ccc(C)cc3Cl)o2)c(Cl)c1.
What is the InChIKey of 2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is SXOJBWGPRVLBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-9-3-5-11(13(17)7-9)15-19-20-16(21-15)12-6-4-10(2)8-14(12)18/h3-8H,1-2H3.
What are the key properties of 2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole?
2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 319.19 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 59937379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).