1-[(2R)-2-amino-4-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one

C18H25F2N5O3 — CID 69189689

IUPAC1-[(2R)-2-amino-4-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one
SMILESN[C@H](CC(=O)N1CCC[C@H]1c1nc(C2CC2)no1)CN1CC(F)(F)CCC1=O
InChIInChI=1S/C18H25F2N5O3/c19-18(20)6-5-14(26)24(10-18)9-12(21)8-15(27)25-7-1-2-13(25)17-22-16(23-28-17)11-3-4-11/h11-13H,1-10,21H2/t12-,13+/m1/s1
InChIKeyGXEXMPYRKFZRFS-OLZOCXBDSA-N
MW397.43 g/mol
LogP1.59
Rot. Bonds6

About 1-[(2R)-2-amino-4-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one

1-[(2R)-2-amino-4-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one (PubChem CID 69189689) has the molecular formula C18H25F2N5O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 1-[(2R)-2-amino-4-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-amino-4-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one
PubChem CID69189689
Molecular FormulaC18H25F2N5O3
Molecular Weight397.43 g/mol
Exact Mass397.19
IUPAC Name1-[(2R)-2-amino-4-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one
SMILESN[C@H](CC(=O)N1CCC[C@H]1c1nc(C2CC2)no1)CN1CC(F)(F)CCC1=O
InChIInChI=1S/C18H25F2N5O3/c19-18(20)6-5-14(26)24(10-18)9-12(21)8-15(27)25-7-1-2-13(25)17-22-16(23-28-17)11-3-4-11/h11-13H,1-10,21H2/t12-,13+/m1/s1
InChIKeyGXEXMPYRKFZRFS-OLZOCXBDSA-N
XLogP1.59
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-2-amino-4-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-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

Related Compounds

1-[(2S)-2-amino-4-[(3S)-3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one
CID 70299143
3-methyl-1-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one
CID 91918866
(3R)-3-amino-1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;formic acid
CID 69256116
3-amino-1-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;formic acid
CID 69256400
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 90564707
(3R)-3-amino-1-[2-[3-(1-fluorocyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 143151305
1-[2-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one
CID 69255914
3-amino-1-[2-[3-(1-methylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 69256513
(3R)-3-amino-1-[(2S)-2-[3-(1-methylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45487920
(3R)-1-[(2S)-2-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;formic acid
CID 69255911
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 90564568
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-naphthalen-1-ylethanone
CID 90564564

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-amino-4-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one?
The IUPAC name of 1-[(2R)-2-amino-4-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one (CID 69189689) is 1-[(2R)-2-amino-4-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one.
What is the SMILES notation for 1-[(2R)-2-amino-4-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one?
The canonical SMILES for 1-[(2R)-2-amino-4-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one is N[C@H](CC(=O)N1CCC[C@H]1c1nc(C2CC2)no1)CN1CC(F)(F)CCC1=O.
What is the InChIKey of 1-[(2R)-2-amino-4-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one?
The InChIKey is GXEXMPYRKFZRFS-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H25F2N5O3/c19-18(20)6-5-14(26)24(10-18)9-12(21)8-15(27)25-7-1-2-13(25)17-22-16(23-28-17)11-3-4-11/h11-13H,1-10,21H2/t12-,13+/m1/s1.
What are the key properties of 1-[(2R)-2-amino-4-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one?
1-[(2R)-2-amino-4-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one has a molecular weight of 397.43 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-amino-4-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one is sourced from PubChem (CID 69189689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).