(2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-phenyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one

C22H25F3N4O4 — CID 142572422

IUPAC(2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-phenyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
SMILESCc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=N[C@@](c3ccccc3)(C(F)(F)F)ON2)C(C)C)on1
InChIInChI=1S/C22H25F3N4O4/c1-12(2)18(17-9-13(3)27-32-17)20(31)29-11-15(30)10-16(29)19-26-21(33-28-19,22(23,24)25)14-7-5-4-6-8-14/h4-9,12,15-16,18,30H,10-11H2,1-3H3,(H,26,28)/t15-,16+,18-,21-/m1/s1
InChIKeyVNNBFHMSXBWONC-VWFIUDSGSA-N
MW466.46 g/mol
LogP3.03
Rot. Bonds5

About (2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-phenyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one

(2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-phenyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one (PubChem CID 142572422) has the molecular formula C22H25F3N4O4 and a molecular weight of 466.46 g/mol. Its IUPAC name is (2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-phenyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-phenyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
PubChem CID142572422
Molecular FormulaC22H25F3N4O4
Molecular Weight466.46 g/mol
Exact Mass466.18
IUPAC Name(2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-phenyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
SMILESCc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=N[C@@](c3ccccc3)(C(F)(F)F)ON2)C(C)C)on1
InChIInChI=1S/C22H25F3N4O4/c1-12(2)18(17-9-13(3)27-32-17)20(31)29-11-15(30)10-16(29)19-26-21(33-28-19,22(23,24)25)14-7-5-4-6-8-14/h4-9,12,15-16,18,30H,10-11H2,1-3H3,(H,26,28)/t15-,16+,18-,21-/m1/s1
InChIKeyVNNBFHMSXBWONC-VWFIUDSGSA-N
XLogP3.03
TPSA100.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-phenyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-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 (2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-phenyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one?
The IUPAC name of (2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-phenyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one (CID 142572422) is (2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-phenyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one.
What is the SMILES notation for (2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-phenyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one?
The canonical SMILES for (2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-phenyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one is Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=N[C@@](c3ccccc3)(C(F)(F)F)ON2)C(C)C)on1.
What is the InChIKey of (2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-phenyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one?
The InChIKey is VNNBFHMSXBWONC-VWFIUDSGSA-N. The full InChI is InChI=1S/C22H25F3N4O4/c1-12(2)18(17-9-13(3)27-32-17)20(31)29-11-15(30)10-16(29)19-26-21(33-28-19,22(23,24)25)14-7-5-4-6-8-14/h4-9,12,15-16,18,30H,10-11H2,1-3H3,(H,26,28)/t15-,16+,18-,21-/m1/s1.
What are the key properties of (2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-phenyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one?
(2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-phenyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one has a molecular weight of 466.46 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-phenyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one is sourced from PubChem (CID 142572422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).