1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-5-fluoropyridin-2-one

C12H12FN3O2 — CID 100678755

IUPAC1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-5-fluoropyridin-2-one
SMILESO=c1ccc(F)cn1Cc1nnc(C2CCC2)o1
InChIInChI=1S/C12H12FN3O2/c13-9-4-5-11(17)16(6-9)7-10-14-15-12(18-10)8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKeyMYAMGFVRWFEZQX-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.69
Rot. Bonds3

About 1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-5-fluoropyridin-2-one

1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-5-fluoropyridin-2-one (PubChem CID 100678755) has the molecular formula C12H12FN3O2 and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-5-fluoropyridin-2-one
PubChem CID100678755
Molecular FormulaC12H12FN3O2
Molecular Weight249.24 g/mol
Exact Mass249.09
IUPAC Name1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-5-fluoropyridin-2-one
SMILESO=c1ccc(F)cn1Cc1nnc(C2CCC2)o1
InChIInChI=1S/C12H12FN3O2/c13-9-4-5-11(17)16(6-9)7-10-14-15-12(18-10)8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKeyMYAMGFVRWFEZQX-UHFFFAOYSA-N
XLogP1.69
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-5-fluoropyridin-2-one?
The IUPAC name of 1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-5-fluoropyridin-2-one (CID 100678755) is 1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-5-fluoropyridin-2-one.
What is the SMILES notation for 1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-5-fluoropyridin-2-one?
The canonical SMILES for 1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-5-fluoropyridin-2-one is O=c1ccc(F)cn1Cc1nnc(C2CCC2)o1.
What is the InChIKey of 1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-5-fluoropyridin-2-one?
The InChIKey is MYAMGFVRWFEZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c13-9-4-5-11(17)16(6-9)7-10-14-15-12(18-10)8-2-1-3-8/h4-6,8H,1-3,7H2.
What are the key properties of 1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-5-fluoropyridin-2-one?
1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-5-fluoropyridin-2-one has a molecular weight of 249.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-5-fluoropyridin-2-one is sourced from PubChem (CID 100678755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).