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

C14H14F3N3O — CID 63317306

IUPAC3-pyrrolidin-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(Cc2nc(C3CCCN3)no2)cc1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)10-5-3-9(4-6-10)8-12-19-13(20-21-12)11-2-1-7-18-11/h3-6,11,18H,1-2,7-8H2
InChIKeyAGSYAQJAUNOJAJ-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.10
Rot. Bonds3

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

3-pyrrolidin-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole (PubChem CID 63317306) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 3-pyrrolidin-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyrrolidin-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
PubChem CID63317306
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name3-pyrrolidin-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(Cc2nc(C3CCCN3)no2)cc1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)10-5-3-9(4-6-10)8-12-19-13(20-21-12)11-2-1-7-18-11/h3-6,11,18H,1-2,7-8H2
InChIKeyAGSYAQJAUNOJAJ-UHFFFAOYSA-N
XLogP3.10
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317448
5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole
CID 23000756
5-(2-phenylethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317905
5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916537
3-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-benzoxazole
CID 104637719
5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317452
3-(azepan-2-yl)-5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 103972211
5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 166316805
5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 104879874
5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60917370
5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015400
5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 65427943

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-pyrrolidin-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole (CID 63317306) is 3-pyrrolidin-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyrrolidin-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-pyrrolidin-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(Cc2nc(C3CCCN3)no2)cc1.
What is the InChIKey of 3-pyrrolidin-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole?
The InChIKey is AGSYAQJAUNOJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)10-5-3-9(4-6-10)8-12-19-13(20-21-12)11-2-1-7-18-11/h3-6,11,18H,1-2,7-8H2.
What are the key properties of 3-pyrrolidin-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole?
3-pyrrolidin-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole has a molecular weight of 297.28 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 63317306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).