[2-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C13H11F3N4O2 — CID 146124992

IUPAC[2-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCCC1c1ncon1
InChIInChI=1S/C13H11F3N4O2/c14-13(15,16)10-4-3-8(6-17-10)12(21)20-5-1-2-9(20)11-18-7-22-19-11/h3-4,6-7,9H,1-2,5H2
InChIKeyBQDVLSDLCBSBMM-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.46
Rot. Bonds2

About [2-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[2-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 146124992) has the molecular formula C13H11F3N4O2 and a molecular weight of 312.25 g/mol. Its IUPAC name is [2-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID146124992
Molecular FormulaC13H11F3N4O2
Molecular Weight312.25 g/mol
Exact Mass312.08
IUPAC Name[2-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCCC1c1ncon1
InChIInChI=1S/C13H11F3N4O2/c14-13(15,16)10-4-3-8(6-17-10)12(21)20-5-1-2-9(20)11-18-7-22-19-11/h3-4,6-7,9H,1-2,5H2
InChIKeyBQDVLSDLCBSBMM-UHFFFAOYSA-N
XLogP2.46
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [2-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 146124992) is [2-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [2-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CCCC1c1ncon1.
What is the InChIKey of [2-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is BQDVLSDLCBSBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O2/c14-13(15,16)10-4-3-8(6-17-10)12(21)20-5-1-2-9(20)11-18-7-22-19-11/h3-4,6-7,9H,1-2,5H2.
What are the key properties of [2-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[2-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 312.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 146124992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).