[3-fluoro-4-(trifluoromethyl)phenyl]-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

C19H14F4N4O2 — CID 68615156

IUPAC[3-fluoro-4-(trifluoromethyl)phenyl]-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)c(F)c1)N1CCCC1c1nnc(-c2ccncc2)o1
InChIInChI=1S/C19H14F4N4O2/c20-14-10-12(3-4-13(14)19(21,22)23)18(28)27-9-1-2-15(27)17-26-25-16(29-17)11-5-7-24-8-6-11/h3-8,10,15H,1-2,9H2
InChIKeyKSDAQUNZXPKMSZ-UHFFFAOYSA-N
MW406.34 g/mol
LogP4.27
Rot. Bonds3

About [3-fluoro-4-(trifluoromethyl)phenyl]-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

[3-fluoro-4-(trifluoromethyl)phenyl]-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 68615156) has the molecular formula C19H14F4N4O2 and a molecular weight of 406.34 g/mol. Its IUPAC name is [3-fluoro-4-(trifluoromethyl)phenyl]-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-fluoro-4-(trifluoromethyl)phenyl]-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID68615156
Molecular FormulaC19H14F4N4O2
Molecular Weight406.34 g/mol
Exact Mass406.11
IUPAC Name[3-fluoro-4-(trifluoromethyl)phenyl]-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)c(F)c1)N1CCCC1c1nnc(-c2ccncc2)o1
InChIInChI=1S/C19H14F4N4O2/c20-14-10-12(3-4-13(14)19(21,22)23)18(28)27-9-1-2-15(27)17-26-25-16(29-17)11-5-7-24-8-6-11/h3-8,10,15H,1-2,9H2
InChIKeyKSDAQUNZXPKMSZ-UHFFFAOYSA-N
XLogP4.27
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-difluorophenyl)-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 10316214
(4-methylphenyl)-[(2S)-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 124968761
[(2R)-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125023784
(4-chlorophenyl)-[2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 10342625
(2-chloro-4-pyridinyl)-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 87516317
pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137853
pyridin-4-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669976
[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118355176
(4-fluoro-1H-indol-2-yl)-[(2S)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 92571691
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 60589048
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70717848
(2,6-difluorophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069158

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (CID 68615156) is [3-fluoro-4-(trifluoromethyl)phenyl]-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-fluoro-4-(trifluoromethyl)phenyl]-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-fluoro-4-(trifluoromethyl)phenyl]-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCCC1c1nnc(-c2ccncc2)o1.
What is the InChIKey of [3-fluoro-4-(trifluoromethyl)phenyl]-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is KSDAQUNZXPKMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O2/c20-14-10-12(3-4-13(14)19(21,22)23)18(28)27-9-1-2-15(27)17-26-25-16(29-17)11-5-7-24-8-6-11/h3-8,10,15H,1-2,9H2.
What are the key properties of [3-fluoro-4-(trifluoromethyl)phenyl]-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
[3-fluoro-4-(trifluoromethyl)phenyl]-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 406.34 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(trifluoromethyl)phenyl]-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 68615156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).