pyridin-4-yl-[(3R)-3-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone

C18H14F3N5O3 — CID 146461664

About pyridin-4-yl-[(3R)-3-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone

pyridin-4-yl-[(3R)-3-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone (PubChem CID 146461664) has the molecular formula C18H14F3N5O3 and a molecular weight of 405.34 g/mol. Its IUPAC name is pyridin-4-yl-[(3R)-3-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: pyridin-4-yl-[(3R)-3-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone
• PubChem CID: 146461664
• Molecular Formula: C18H14F3N5O3
• Molecular Weight: 405.34 g/mol
• Exact Mass: 405.10
• IUPAC Name: pyridin-4-yl-[(3R)-3-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone
• SMILES: O=C(c1ccncc1)N1CC[C@@H](Oc2ccc(-c3noc(C(F)(F)F)n3)nc2)C1
• InChI: InChI=1S/C18H14F3N5O3/c19-18(20,21)17-24-15(25-29-17)14-2-1-12(9-23-14)28-13-5-8-26(10-13)16(27)11-3-6-22-7-4-11/h1-4,6-7,9,13H,5,8,10H2/t13-/m1/s1
• InChIKey: RDXYBOXOCMLOGE-CYBMUJFWSA-N
• XLogP: 2.84
• TPSA: 94.24 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.34
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[(3R)-3-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone?

The IUPAC name of pyridin-4-yl-[(3R)-3-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone (CID 146461664) is pyridin-4-yl-[(3R)-3-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone.

What is the SMILES notation for pyridin-4-yl-[(3R)-3-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone?

The canonical SMILES for pyridin-4-yl-[(3R)-3-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone is O=C(c1ccncc1)N1CC[C@@H](Oc2ccc(-c3noc(C(F)(F)F)n3)nc2)C1.

What is the InChIKey of pyridin-4-yl-[(3R)-3-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone?

The InChIKey is RDXYBOXOCMLOGE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H14F3N5O3/c19-18(20,21)17-24-15(25-29-17)14-2-1-12(9-23-14)28-13-5-8-26(10-13)16(27)11-3-6-22-7-4-11/h1-4,6-7,9,13H,5,8,10H2/t13-/m1/s1.

What are the key properties of pyridin-4-yl-[(3R)-3-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone?

pyridin-4-yl-[(3R)-3-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone has a molecular weight of 405.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for pyridin-4-yl-[(3R)-3-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 146461664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).