2-(2,4-dimethylphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole

C16H13FN2O — CID 850838

IUPAC2-(2,4-dimethylphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cccc(F)c3)o2)c(C)c1
InChIInChI=1S/C16H13FN2O/c1-10-6-7-14(11(2)8-10)16-19-18-15(20-16)12-4-3-5-13(17)9-12/h3-9H,1-2H3
InChIKeyHQABELMTVXXPNE-UHFFFAOYSA-N
MW268.29 g/mol
LogP4.16
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole

2-(2,4-dimethylphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 850838) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole
PubChem CID850838
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name2-(2,4-dimethylphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cccc(F)c3)o2)c(C)c1
InChIInChI=1S/C16H13FN2O/c1-10-6-7-14(11(2)8-10)16-19-18-15(20-16)12-4-3-5-13(17)9-12/h3-9H,1-2H3
InChIKeyHQABELMTVXXPNE-UHFFFAOYSA-N
XLogP4.16
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-dimethylphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole (CID 850838) is 2-(2,4-dimethylphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-dimethylphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3cccc(F)c3)o2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is HQABELMTVXXPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-10-6-7-14(11(2)8-10)16-19-18-15(20-16)12-4-3-5-13(17)9-12/h3-9H,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole?
2-(2,4-dimethylphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 268.29 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 850838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).