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

C19H15F3N4O3 — CID 146461594

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

pyridin-2-yl-[(3S)-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone (PubChem CID 146461594) has the molecular formula C19H15F3N4O3 and a molecular weight of 404.35 g/mol. Its IUPAC name is pyridin-2-yl-[(3S)-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: pyridin-2-yl-[(3S)-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone
• PubChem CID: 146461594
• Molecular Formula: C19H15F3N4O3
• Molecular Weight: 404.35 g/mol
• Exact Mass: 404.11
• IUPAC Name: pyridin-2-yl-[(3S)-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone
• SMILES: O=C(c1ccccn1)N1CC[C@H](Oc2cccc(-c3noc(C(F)(F)F)n3)c2)C1
• InChI: InChI=1S/C19H15F3N4O3/c20-19(21,22)18-24-16(25-29-18)12-4-3-5-13(10-12)28-14-7-9-26(11-14)17(27)15-6-1-2-8-23-15/h1-6,8,10,14H,7,9,11H2/t14-/m0/s1
• InChIKey: ZMEJLTFCWAUXIH-AWEZNQCLSA-N
• XLogP: 3.44
• TPSA: 81.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.35
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[(3S)-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone?

The IUPAC name of pyridin-2-yl-[(3S)-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone (CID 146461594) is pyridin-2-yl-[(3S)-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone.

What is the SMILES notation for pyridin-2-yl-[(3S)-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone?

The canonical SMILES for pyridin-2-yl-[(3S)-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone is O=C(c1ccccn1)N1CC[C@H](Oc2cccc(-c3noc(C(F)(F)F)n3)c2)C1.

What is the InChIKey of pyridin-2-yl-[(3S)-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone?

The InChIKey is ZMEJLTFCWAUXIH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H15F3N4O3/c20-19(21,22)18-24-16(25-29-18)12-4-3-5-13(10-12)28-14-7-9-26(11-14)17(27)15-6-1-2-8-23-15/h1-6,8,10,14H,7,9,11H2/t14-/m0/s1.

What are the key properties of pyridin-2-yl-[(3S)-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone?

pyridin-2-yl-[(3S)-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone has a molecular weight of 404.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for pyridin-2-yl-[(3S)-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 146461594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).