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

C14H12F3N3O2 — CID 124891749

IUPAC[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CC[C@H](c2ncon2)C1
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)11-3-1-9(2-4-11)13(21)20-6-5-10(7-20)12-18-8-22-19-12/h1-4,8,10H,5-7H2/t10-/m0/s1
InChIKeyGEHRHCDXVSUSLP-JTQLQIEISA-N
MW311.26 g/mol
LogP2.72
Rot. Bonds2

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

[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 124891749) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is [(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID124891749
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC Name[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CC[C@H](c2ncon2)C1
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)11-3-1-9(2-4-11)13(21)20-6-5-10(7-20)12-18-8-22-19-12/h1-4,8,10H,5-7H2/t10-/m0/s1
InChIKeyGEHRHCDXVSUSLP-JTQLQIEISA-N
XLogP2.72
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124759582
(3,4-difluorophenyl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 119102318
3-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 124891483
(3-methylsulfanylphenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892543
(2-methylpyrazol-3-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124725379
[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 125000644
[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 51710382
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
1-[4-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63007152
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702
N-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 121019590
2H-benzotriazol-5-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118789435

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 124891749) is [(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@H](c2ncon2)C1.
What is the InChIKey of [(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is GEHRHCDXVSUSLP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H12F3N3O2/c15-14(16,17)11-3-1-9(2-4-11)13(21)20-6-5-10(7-20)12-18-8-22-19-12/h1-4,8,10H,5-7H2/t10-/m0/s1.
What are the key properties of [(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 311.26 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 124891749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).