1,2-oxazol-3-yl-[3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4-pyridinyl]piperidin-1-yl]methanone

C17H14F3N5O3 — CID 132771508

IUPAC1,2-oxazol-3-yl-[3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(c1ccon1)N1CCCC(c2ccnc(-c3noc(C(F)(F)F)n3)c2)C1
InChIInChI=1S/C17H14F3N5O3/c18-17(19,20)16-22-14(24-28-16)13-8-10(3-5-21-13)11-2-1-6-25(9-11)15(26)12-4-7-27-23-12/h3-5,7-8,11H,1-2,6,9H2
InChIKeyPGGYDDIQTPTRDE-UHFFFAOYSA-N
MW393.33 g/mol
LogP3.16
Rot. Bonds3

About 1,2-oxazol-3-yl-[3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4-pyridinyl]piperidin-1-yl]methanone

1,2-oxazol-3-yl-[3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4-pyridinyl]piperidin-1-yl]methanone (PubChem CID 132771508) has the molecular formula C17H14F3N5O3 and a molecular weight of 393.33 g/mol. Its IUPAC name is 1,2-oxazol-3-yl-[3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,2-oxazol-3-yl-[3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4-pyridinyl]piperidin-1-yl]methanone
PubChem CID132771508
Molecular FormulaC17H14F3N5O3
Molecular Weight393.33 g/mol
Exact Mass393.10
IUPAC Name1,2-oxazol-3-yl-[3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(c1ccon1)N1CCCC(c2ccnc(-c3noc(C(F)(F)F)n3)c2)C1
InChIInChI=1S/C17H14F3N5O3/c18-17(19,20)16-22-14(24-28-16)13-8-10(3-5-21-13)11-2-1-6-25(9-11)15(26)12-4-7-27-23-12/h3-5,7-8,11H,1-2,6,9H2
InChIKeyPGGYDDIQTPTRDE-UHFFFAOYSA-N
XLogP3.16
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-3-yl-[3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of 1,2-oxazol-3-yl-[3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4-pyridinyl]piperidin-1-yl]methanone (CID 132771508) is 1,2-oxazol-3-yl-[3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1,2-oxazol-3-yl-[3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for 1,2-oxazol-3-yl-[3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4-pyridinyl]piperidin-1-yl]methanone is O=C(c1ccon1)N1CCCC(c2ccnc(-c3noc(C(F)(F)F)n3)c2)C1.
What is the InChIKey of 1,2-oxazol-3-yl-[3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is PGGYDDIQTPTRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O3/c18-17(19,20)16-22-14(24-28-16)13-8-10(3-5-21-13)11-2-1-6-25(9-11)15(26)12-4-7-27-23-12/h3-5,7-8,11H,1-2,6,9H2.
What are the key properties of 1,2-oxazol-3-yl-[3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4-pyridinyl]piperidin-1-yl]methanone?
1,2-oxazol-3-yl-[3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 393.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-3-yl-[3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 132771508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).