2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-fluorophenyl)ethanone

C18H15FN2O2 — CID 70554936

IUPAC2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-fluorophenyl)ethanone
SMILESCc1ccc(-c2nc(CC(=O)c3cccc(F)c3)no2)c(C)c1
InChIInChI=1S/C18H15FN2O2/c1-11-6-7-15(12(2)8-11)18-20-17(21-23-18)10-16(22)13-4-3-5-14(19)9-13/h3-9H,10H2,1-2H3
InChIKeyMORBFHZQQOYNLV-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.92
Rot. Bonds4

About 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-fluorophenyl)ethanone

2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-fluorophenyl)ethanone (PubChem CID 70554936) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-fluorophenyl)ethanone
PubChem CID70554936
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-fluorophenyl)ethanone
SMILESCc1ccc(-c2nc(CC(=O)c3cccc(F)c3)no2)c(C)c1
InChIInChI=1S/C18H15FN2O2/c1-11-6-7-15(12(2)8-11)18-20-17(21-23-18)10-16(22)13-4-3-5-14(19)9-13/h3-9H,10H2,1-2H3
InChIKeyMORBFHZQQOYNLV-UHFFFAOYSA-N
XLogP3.92
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-fluorophenyl)ethanone?
The IUPAC name of 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-fluorophenyl)ethanone (CID 70554936) is 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-fluorophenyl)ethanone.
What is the SMILES notation for 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-fluorophenyl)ethanone?
The canonical SMILES for 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-fluorophenyl)ethanone is Cc1ccc(-c2nc(CC(=O)c3cccc(F)c3)no2)c(C)c1.
What is the InChIKey of 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-fluorophenyl)ethanone?
The InChIKey is MORBFHZQQOYNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-11-6-7-15(12(2)8-11)18-20-17(21-23-18)10-16(22)13-4-3-5-14(19)9-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-fluorophenyl)ethanone?
2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-fluorophenyl)ethanone has a molecular weight of 310.33 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-fluorophenyl)ethanone is sourced from PubChem (CID 70554936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).