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

C20H18F3N3O — CID 75615219

IUPAC2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(CN2CCC(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
InChIKeyAZSGIFKRWWNZCD-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.74
Rot. Bonds4

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

2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 75615219) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID75615219
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(CN2CCC(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
InChIKeyAZSGIFKRWWNZCD-UHFFFAOYSA-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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Related Compounds

4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 75615193
2-(2-methoxyphenyl)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615471
2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849713
2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 51137228
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615410
2-(4-fluorophenyl)-5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3,4-oxadiazole
CID 121073608
2-(1-benzylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542207
2-(4-chlorophenyl)-5-[(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137234
2-(4-methylphenyl)-5-[(3S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137446
2-(4-chlorophenyl)-5-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137247
2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 51137330
N,N-dimethyl-4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]aniline
CID 75615327

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 75615219) is 2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole is FC(F)(F)c1ccc(CN2CCC(c3nnc(-c4ccccc4)o3)C2)cc1.
What is the InChIKey of 2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is AZSGIFKRWWNZCD-UHFFFAOYSA-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.
What are the key properties of 2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-phenyl-5-[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-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 75615219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).