5-(1-pyridin-4-ylpyrrolidin-3-yl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole

C19H17F3N4O2 — CID 167905993

IUPAC5-(1-pyridin-4-ylpyrrolidin-3-yl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1cccc(Cc2noc(C3CCN(c4ccncc4)C3)n2)c1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)27-16-3-1-2-13(10-16)11-17-24-18(28-25-17)14-6-9-26(12-14)15-4-7-23-8-5-15/h1-5,7-8,10,14H,6,9,11-12H2
InChIKeyAESJZYQOVOSZCE-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.95
Rot. Bonds5

About 5-(1-pyridin-4-ylpyrrolidin-3-yl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole

5-(1-pyridin-4-ylpyrrolidin-3-yl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole (PubChem CID 167905993) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 5-(1-pyridin-4-ylpyrrolidin-3-yl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-pyridin-4-ylpyrrolidin-3-yl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole
PubChem CID167905993
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name5-(1-pyridin-4-ylpyrrolidin-3-yl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1cccc(Cc2noc(C3CCN(c4ccncc4)C3)n2)c1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)27-16-3-1-2-13(10-16)11-17-24-18(28-25-17)14-6-9-26(12-14)15-4-7-23-8-5-15/h1-5,7-8,10,14H,6,9,11-12H2
InChIKeyAESJZYQOVOSZCE-UHFFFAOYSA-N
XLogP3.95
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(1-pyridin-4-ylpyrrolidin-3-yl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

1-[4-[3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 142004042
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66031999
4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine
CID 18357038
5-(3-ethoxycyclobutyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
CID 126805916
1-[(3R)-3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 100688666
5-(3-bicyclo[3.2.1]octanyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 166326629
4-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 55203544
1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 121093062
5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 95830092
5-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 110235458
5-[(3S)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 92568601

Frequently Asked Questions

What is the IUPAC name of 5-(1-pyridin-4-ylpyrrolidin-3-yl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1-pyridin-4-ylpyrrolidin-3-yl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole (CID 167905993) is 5-(1-pyridin-4-ylpyrrolidin-3-yl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-pyridin-4-ylpyrrolidin-3-yl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-pyridin-4-ylpyrrolidin-3-yl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole is FC(F)(F)Oc1cccc(Cc2noc(C3CCN(c4ccncc4)C3)n2)c1.
What is the InChIKey of 5-(1-pyridin-4-ylpyrrolidin-3-yl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole?
The InChIKey is AESJZYQOVOSZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)27-16-3-1-2-13(10-16)11-17-24-18(28-25-17)14-6-9-26(12-14)15-4-7-23-8-5-15/h1-5,7-8,10,14H,6,9,11-12H2.
What are the key properties of 5-(1-pyridin-4-ylpyrrolidin-3-yl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole?
5-(1-pyridin-4-ylpyrrolidin-3-yl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole has a molecular weight of 390.37 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-pyridin-4-ylpyrrolidin-3-yl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167905993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).