2-phenoxy-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone

C15H14F3N3O3 — CID 129417967

IUPAC2-phenoxy-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H14F3N3O3/c16-15(17,18)14-19-13(20-24-14)10-6-7-21(8-10)12(22)9-23-11-4-2-1-3-5-11/h1-5,10H,6-9H2/t10-/m1/s1
InChIKeyVHCMTSGVESYYMH-SNVBAGLBSA-N
MW341.29 g/mol
LogP2.48
Rot. Bonds4

About 2-phenoxy-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone

2-phenoxy-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone (PubChem CID 129417967) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-phenoxy-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
PubChem CID129417967
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Name2-phenoxy-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H14F3N3O3/c16-15(17,18)14-19-13(20-24-14)10-6-7-21(8-10)12(22)9-23-11-4-2-1-3-5-11/h1-5,10H,6-9H2/t10-/m1/s1
InChIKeyVHCMTSGVESYYMH-SNVBAGLBSA-N
XLogP2.48
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
CID 121019682
(Z)-3-phenyl-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 129447731
1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 91907841
2-(2-chloro-6-fluorophenyl)-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
CID 129417108
2-(4-fluorophenoxy)-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 91905654
furan-3-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129417650
(1-methylpyrrol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129417627
(6-methyl-3-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129418311
1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 75372520
(2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129416553
[(2R)-oxolan-2-yl]-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129417973
oxan-4-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129416204

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone (CID 129417967) is 2-phenoxy-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone is O=C(COc1ccccc1)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1.
What is the InChIKey of 2-phenoxy-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is VHCMTSGVESYYMH-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c16-15(17,18)14-19-13(20-24-14)10-6-7-21(8-10)12(22)9-23-11-4-2-1-3-5-11/h1-5,10H,6-9H2/t10-/m1/s1.
What are the key properties of 2-phenoxy-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone?
2-phenoxy-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 341.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 129417967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).