5-fluoro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one

C11H12FN3O2 — CID 99831533

IUPAC5-fluoro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
SMILESCCCc1nc(Cn2cc(F)ccc2=O)no1
InChIInChI=1S/C11H12FN3O2/c1-2-3-10-13-9(14-17-10)7-15-6-8(12)4-5-11(15)16/h4-6H,2-3,7H2,1H3
InChIKeyWSUIBJKCHPLJJP-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.37
Rot. Bonds4

About 5-fluoro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one

5-fluoro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one (PubChem CID 99831533) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 5-fluoro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
PubChem CID99831533
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name5-fluoro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
SMILESCCCc1nc(Cn2cc(F)ccc2=O)no1
InChIInChI=1S/C11H12FN3O2/c1-2-3-10-13-9(14-17-10)7-15-6-8(12)4-5-11(15)16/h4-6H,2-3,7H2,1H3
InChIKeyWSUIBJKCHPLJJP-UHFFFAOYSA-N
XLogP1.37
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one?
The IUPAC name of 5-fluoro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one (CID 99831533) is 5-fluoro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-fluoro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-fluoro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one is CCCc1nc(Cn2cc(F)ccc2=O)no1.
What is the InChIKey of 5-fluoro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one?
The InChIKey is WSUIBJKCHPLJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-2-3-10-13-9(14-17-10)7-15-6-8(12)4-5-11(15)16/h4-6H,2-3,7H2,1H3.
What are the key properties of 5-fluoro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one?
5-fluoro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one has a molecular weight of 237.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one is sourced from PubChem (CID 99831533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).