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

C15H14FN3O2 — CID 53015165

IUPAC4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2noc(C3CC3)n2)CN1c1ccc(F)cc1
InChIInChI=1S/C15H14FN3O2/c16-11-3-5-12(6-4-11)19-8-10(7-13(19)20)14-17-15(21-18-14)9-1-2-9/h3-6,9-10H,1-2,7-8H2
InChIKeyTWIZCYUIFNGGOU-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.61
Rot. Bonds3

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

4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 53015165) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one
PubChem CID53015165
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2noc(C3CC3)n2)CN1c1ccc(F)cc1
InChIInChI=1S/C15H14FN3O2/c16-11-3-5-12(6-4-11)19-8-10(7-13(19)20)14-17-15(21-18-14)9-1-2-9/h3-6,9-10H,1-2,7-8H2
InChIKeyTWIZCYUIFNGGOU-UHFFFAOYSA-N
XLogP2.61
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one (CID 53015165) is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one is O=C1CC(c2noc(C3CC3)n2)CN1c1ccc(F)cc1.
What is the InChIKey of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is TWIZCYUIFNGGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-11-3-5-12(6-4-11)19-8-10(7-13(19)20)14-17-15(21-18-14)9-1-2-9/h3-6,9-10H,1-2,7-8H2.
What are the key properties of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one?
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 287.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 53015165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).