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

C20H21FN4O3 — CID 90564592

IUPAC4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCC2c2nc(C3CC3)no2)CN1c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O3/c21-14-5-7-15(8-6-14)25-11-13(10-17(25)26)20(27)24-9-1-2-16(24)19-22-18(23-28-19)12-3-4-12/h5-8,12-13,16H,1-4,9-11H2
InChIKeyAMIOZVSZBGNFEZ-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.80
Rot. Bonds4

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

4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 90564592) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
PubChem CID90564592
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCC2c2nc(C3CC3)no2)CN1c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O3/c21-14-5-7-15(8-6-14)25-11-13(10-17(25)26)20(27)24-9-1-2-16(24)19-22-18(23-28-19)12-3-4-12/h5-8,12-13,16H,1-4,9-11H2
InChIKeyAMIOZVSZBGNFEZ-UHFFFAOYSA-N
XLogP2.80
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one (CID 90564592) is 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCCC2c2nc(C3CC3)no2)CN1c1ccc(F)cc1.
What is the InChIKey of 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is AMIOZVSZBGNFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c21-14-5-7-15(8-6-14)25-11-13(10-17(25)26)20(27)24-9-1-2-16(24)19-22-18(23-28-19)12-3-4-12/h5-8,12-13,16H,1-4,9-11H2.
What are the key properties of 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one?
4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 384.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 90564592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).