3-(3-methoxyphenyl)-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole

C19H17F3N4O3 — CID 133446278

IUPAC3-(3-methoxyphenyl)-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(N3CCC(Oc4ccc(C(F)(F)F)cn4)C3)n2)c1
InChIInChI=1S/C19H17F3N4O3/c1-27-14-4-2-3-12(9-14)17-24-18(29-25-17)26-8-7-15(11-26)28-16-6-5-13(10-23-16)19(20,21)22/h2-6,9-10,15H,7-8,11H2,1H3
InChIKeyNCUFOPQBIUTLLG-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.82
Rot. Bonds5

About 3-(3-methoxyphenyl)-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole

3-(3-methoxyphenyl)-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole (PubChem CID 133446278) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole
PubChem CID133446278
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC Name3-(3-methoxyphenyl)-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(N3CCC(Oc4ccc(C(F)(F)F)cn4)C3)n2)c1
InChIInChI=1S/C19H17F3N4O3/c1-27-14-4-2-3-12(9-14)17-24-18(29-25-17)26-8-7-15(11-26)28-16-6-5-13(10-23-16)19(20,21)22/h2-6,9-10,15H,7-8,11H2,1H3
InChIKeyNCUFOPQBIUTLLG-UHFFFAOYSA-N
XLogP3.82
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3-methoxyphenyl)-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(3-methoxyphenyl)-5-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]-1,2,4-oxadiazole
CID 133345649
N-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
CID 133330879
methyl (3S)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxylate
CID 133326662
[2-[3-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]-1,3-thiazol-4-yl]methanol
CID 156814981
4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine
CID 133446164
N-methyl-5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]aniline
CID 175337456
2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 57057806
5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline
CID 133446224
4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine
CID 133322362
1-[5-phenyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanol
CID 170313406
3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine
CID 133446213
5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 133344398

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methoxyphenyl)-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole (CID 133446278) is 3-(3-methoxyphenyl)-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methoxyphenyl)-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole is COc1cccc(-c2noc(N3CCC(Oc4ccc(C(F)(F)F)cn4)C3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is NCUFOPQBIUTLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c1-27-14-4-2-3-12(9-14)17-24-18(29-25-17)26-8-7-15(11-26)28-16-6-5-13(10-23-16)19(20,21)22/h2-6,9-10,15H,7-8,11H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole?
3-(3-methoxyphenyl)-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 406.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 133446278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).