(2S,3S)-2-amino-3-[3-[2-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylbutan-1-one

C17H20F2N4O2 — CID 23645687

IUPAC(2S,3S)-2-amino-3-[3-[2-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylbutan-1-one
SMILESC[C@H](c1nc(-c2ccccc2C(F)F)no1)[C@H](N)C(=O)N1CCCC1
InChIInChI=1S/C17H20F2N4O2/c1-10(13(20)17(24)23-8-4-5-9-23)16-21-15(22-25-16)12-7-3-2-6-11(12)14(18)19/h2-3,6-7,10,13-14H,4-5,8-9,20H2,1H3/t10-,13-/m0/s1
InChIKeyZUTXGDPQGGSLPL-GWCFXTLKSA-N
MW350.37 g/mol
LogP2.73
Rot. Bonds5

About (2S,3S)-2-amino-3-[3-[2-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylbutan-1-one

(2S,3S)-2-amino-3-[3-[2-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 23645687) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-[3-[2-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-[3-[2-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylbutan-1-one
PubChem CID23645687
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name(2S,3S)-2-amino-3-[3-[2-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylbutan-1-one
SMILESC[C@H](c1nc(-c2ccccc2C(F)F)no1)[C@H](N)C(=O)N1CCCC1
InChIInChI=1S/C17H20F2N4O2/c1-10(13(20)17(24)23-8-4-5-9-23)16-21-15(22-25-16)12-7-3-2-6-11(12)14(18)19/h2-3,6-7,10,13-14H,4-5,8-9,20H2,1H3/t10-,13-/m0/s1
InChIKeyZUTXGDPQGGSLPL-GWCFXTLKSA-N
XLogP2.73
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-2-amino-3-[3-[2-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylbutan-1-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 (2S,3S)-2-amino-3-[3-[2-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of (2S,3S)-2-amino-3-[3-[2-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylbutan-1-one (CID 23645687) is (2S,3S)-2-amino-3-[3-[2-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for (2S,3S)-2-amino-3-[3-[2-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for (2S,3S)-2-amino-3-[3-[2-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylbutan-1-one is C[C@H](c1nc(-c2ccccc2C(F)F)no1)[C@H](N)C(=O)N1CCCC1.
What is the InChIKey of (2S,3S)-2-amino-3-[3-[2-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is ZUTXGDPQGGSLPL-GWCFXTLKSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c1-10(13(20)17(24)23-8-4-5-9-23)16-21-15(22-25-16)12-7-3-2-6-11(12)14(18)19/h2-3,6-7,10,13-14H,4-5,8-9,20H2,1H3/t10-,13-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-[3-[2-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylbutan-1-one?
(2S,3S)-2-amino-3-[3-[2-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 350.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-[3-[2-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 23645687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).