2-phenyl-5-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole

C20H18F3N3O — CID 51137223

IUPAC2-phenyl-5-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1
InChIInChI=1S/C20H18F3N3O/c21-20(22,23)17-8-6-14(7-9-17)12-26-11-10-16(13-26)19-25-24-18(27-19)15-4-2-1-3-5-15/h1-9,16H,10-13H2/t16-/m0/s1
InChIKeyAZSGIFKRWWNZCD-INIZCTEOSA-N
MW373.38 g/mol
LogP4.74
Rot. Bonds4

About 2-phenyl-5-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole

2-phenyl-5-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 51137223) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-phenyl-5-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID51137223
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name2-phenyl-5-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1
InChIInChI=1S/C20H18F3N3O/c21-20(22,23)17-8-6-14(7-9-17)12-26-11-10-16(13-26)19-25-24-18(27-19)15-4-2-1-3-5-15/h1-9,16H,10-13H2/t16-/m0/s1
InChIKeyAZSGIFKRWWNZCD-INIZCTEOSA-N
XLogP4.74
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 51137223) is 2-phenyl-5-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole is FC(F)(F)c1ccc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1.
What is the InChIKey of 2-phenyl-5-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is AZSGIFKRWWNZCD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H18F3N3O/c21-20(22,23)17-8-6-14(7-9-17)12-26-11-10-16(13-26)19-25-24-18(27-19)15-4-2-1-3-5-15/h1-9,16H,10-13H2/t16-/m0/s1.
What are the key properties of 2-phenyl-5-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-phenyl-5-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 373.38 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 51137223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).