4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one

C18H13ClFN3O2 — CID 91906696

IUPAC4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2noc(-c3ccccc3Cl)n2)CN1c1ccc(F)cc1
InChIInChI=1S/C18H13ClFN3O2/c19-15-4-2-1-3-14(15)18-21-17(22-25-18)11-9-16(24)23(10-11)13-7-5-12(20)6-8-13/h1-8,11H,9-10H2
InChIKeyPTOHSZRDMRUAEP-UHFFFAOYSA-N
MW357.77 g/mol
LogP4.05
Rot. Bonds3

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

4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 91906696) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
PubChem CID91906696
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2noc(-c3ccccc3Cl)n2)CN1c1ccc(F)cc1
InChIInChI=1S/C18H13ClFN3O2/c19-15-4-2-1-3-14(15)18-21-17(22-25-18)11-9-16(24)23(10-11)13-7-5-12(20)6-8-13/h1-8,11H,9-10H2
InChIKeyPTOHSZRDMRUAEP-UHFFFAOYSA-N
XLogP4.05
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one (CID 91906696) is 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one is O=C1CC(c2noc(-c3ccccc3Cl)n2)CN1c1ccc(F)cc1.
What is the InChIKey of 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is PTOHSZRDMRUAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c19-15-4-2-1-3-14(15)18-21-17(22-25-18)11-9-16(24)23(10-11)13-7-5-12(20)6-8-13/h1-8,11H,9-10H2.
What are the key properties of 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 357.77 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 91906696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).