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

C18H21FN4O2 — CID 56788663

IUPAC3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCC(c1nc(C2CC2)no1)N(C)C1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C18H21FN4O2/c1-11(17-20-16(21-25-17)12-7-8-12)22(2)15-9-10-23(18(15)24)14-6-4-3-5-13(14)19/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyVVHJTVRWAOCEHQ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.88
Rot. Bonds5

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

3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one (PubChem CID 56788663) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
PubChem CID56788663
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCC(c1nc(C2CC2)no1)N(C)C1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C18H21FN4O2/c1-11(17-20-16(21-25-17)12-7-8-12)22(2)15-9-10-23(18(15)24)14-6-4-3-5-13(14)19/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyVVHJTVRWAOCEHQ-UHFFFAOYSA-N
XLogP2.88
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one (CID 56788663) is 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one is CC(c1nc(C2CC2)no1)N(C)C1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The InChIKey is VVHJTVRWAOCEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-11(17-20-16(21-25-17)12-7-8-12)22(2)15-9-10-23(18(15)24)14-6-4-3-5-13(14)19/h3-6,11-12,15H,7-10H2,1-2H3.
What are the key properties of 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one has a molecular weight of 344.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 56788663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).