4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one

C16H16FN3O2 — CID 53183301

IUPAC4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2noc(C3CCC3)n2)CN1c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c17-12-4-6-13(7-5-12)20-9-11(8-14(20)21)15-18-16(22-19-15)10-2-1-3-10/h4-7,10-11H,1-3,8-9H2
InChIKeyOVZZFBOSEASNNY-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.00
Rot. Bonds3

About 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one

4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 53183301) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one
PubChem CID53183301
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2noc(C3CCC3)n2)CN1c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c17-12-4-6-13(7-5-12)20-9-11(8-14(20)21)15-18-16(22-19-15)10-2-1-3-10/h4-7,10-11H,1-3,8-9H2
InChIKeyOVZZFBOSEASNNY-UHFFFAOYSA-N
XLogP3.00
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one (CID 53183301) is 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one is O=C1CC(c2noc(C3CCC3)n2)CN1c1ccc(F)cc1.
What is the InChIKey of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is OVZZFBOSEASNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-12-4-6-13(7-5-12)20-9-11(8-14(20)21)15-18-16(22-19-15)10-2-1-3-10/h4-7,10-11H,1-3,8-9H2.
What are the key properties of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one?
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 301.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 53183301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).