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

C14H14F3N3O — CID 115080894

IUPAC5-pyrrolidin-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(Cc2noc(C3CCNC3)n2)cc1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)11-3-1-9(2-4-11)7-12-19-13(21-20-12)10-5-6-18-8-10/h1-4,10,18H,5-8H2
InChIKeyHZXMHJAEGALCPQ-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.76
Rot. Bonds3

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

5-pyrrolidin-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole (PubChem CID 115080894) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 5-pyrrolidin-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-pyrrolidin-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
PubChem CID115080894
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name5-pyrrolidin-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(Cc2noc(C3CCNC3)n2)cc1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)11-3-1-9(2-4-11)7-12-19-13(21-20-12)10-5-6-18-8-10/h1-4,10,18H,5-8H2
InChIKeyHZXMHJAEGALCPQ-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxyphenyl)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120838644
3-[(3-fluorophenyl)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120893894
5-(azetidin-3-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 79316233
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63030798
3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63032178
3-[(3,5-dimethylphenyl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62594260
3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911769
5-(azetidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
CID 79316805
5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104911956
tert-butyl formate;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 174494902
3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743251
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-pyrrolidin-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole (CID 115080894) is 5-pyrrolidin-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-pyrrolidin-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-pyrrolidin-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(Cc2noc(C3CCNC3)n2)cc1.
What is the InChIKey of 5-pyrrolidin-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole?
The InChIKey is HZXMHJAEGALCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)11-3-1-9(2-4-11)7-12-19-13(21-20-12)10-5-6-18-8-10/h1-4,10,18H,5-8H2.
What are the key properties of 5-pyrrolidin-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole?
5-pyrrolidin-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole has a molecular weight of 297.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 115080894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).