5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one

C14H9ClFN3O2 — CID 83274036

IUPAC5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2noc(-c3ccc(F)cc3Cl)n2)ccc1=O
InChIInChI=1S/C14H9ClFN3O2/c1-19-7-8(2-5-12(19)20)13-17-14(21-18-13)10-4-3-9(16)6-11(10)15/h2-7H,1H3
InChIKeyOHOIMDGWAAHQBE-UHFFFAOYSA-N
MW305.70 g/mol
LogP2.89
Rot. Bonds2

About 5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one

5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one (PubChem CID 83274036) has the molecular formula C14H9ClFN3O2 and a molecular weight of 305.70 g/mol. Its IUPAC name is 5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
PubChem CID83274036
Molecular FormulaC14H9ClFN3O2
Molecular Weight305.70 g/mol
Exact Mass305.04
IUPAC Name5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2noc(-c3ccc(F)cc3Cl)n2)ccc1=O
InChIInChI=1S/C14H9ClFN3O2/c1-19-7-8(2-5-12(19)20)13-17-14(21-18-13)10-4-3-9(16)6-11(10)15/h2-7H,1H3
InChIKeyOHOIMDGWAAHQBE-UHFFFAOYSA-N
XLogP2.89
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.70
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one (CID 83274036) is 5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one is Cn1cc(-c2noc(-c3ccc(F)cc3Cl)n2)ccc1=O.
What is the InChIKey of 5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one?
The InChIKey is OHOIMDGWAAHQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O2/c1-19-7-8(2-5-12(19)20)13-17-14(21-18-13)10-4-3-9(16)6-11(10)15/h2-7H,1H3.
What are the key properties of 5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one?
5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one has a molecular weight of 305.70 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 83274036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).