3-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-3H-pyridin-2-one

C16H12F3N3O3 — CID 154792747

IUPAC3-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-3H-pyridin-2-one
SMILESCC(O)(c1cccc(C(F)(F)F)c1)c1nc(C2C=CC=NC2=O)no1
InChIInChI=1S/C16H12F3N3O3/c1-15(24,9-4-2-5-10(8-9)16(17,18)19)14-21-12(22-25-14)11-6-3-7-20-13(11)23/h2-8,11,24H,1H3
InChIKeyMWQHHKNDYCHFKK-UHFFFAOYSA-N
MW351.28 g/mol
LogP2.60
Rot. Bonds3

About 3-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-3H-pyridin-2-one

3-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-3H-pyridin-2-one (PubChem CID 154792747) has the molecular formula C16H12F3N3O3 and a molecular weight of 351.28 g/mol. Its IUPAC name is 3-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-3H-pyridin-2-one.

Molecular Properties

Compound Name3-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-3H-pyridin-2-one
PubChem CID154792747
Molecular FormulaC16H12F3N3O3
Molecular Weight351.28 g/mol
Exact Mass351.08
IUPAC Name3-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-3H-pyridin-2-one
SMILESCC(O)(c1cccc(C(F)(F)F)c1)c1nc(C2C=CC=NC2=O)no1
InChIInChI=1S/C16H12F3N3O3/c1-15(24,9-4-2-5-10(8-9)16(17,18)19)14-21-12(22-25-14)11-6-3-7-20-13(11)23/h2-8,11,24H,1H3
InChIKeyMWQHHKNDYCHFKK-UHFFFAOYSA-N
XLogP2.60
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-3H-pyridin-2-one?
The IUPAC name of 3-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-3H-pyridin-2-one (CID 154792747) is 3-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-3H-pyridin-2-one.
What is the SMILES notation for 3-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-3H-pyridin-2-one?
The canonical SMILES for 3-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-3H-pyridin-2-one is CC(O)(c1cccc(C(F)(F)F)c1)c1nc(C2C=CC=NC2=O)no1.
What is the InChIKey of 3-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-3H-pyridin-2-one?
The InChIKey is MWQHHKNDYCHFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3/c1-15(24,9-4-2-5-10(8-9)16(17,18)19)14-21-12(22-25-14)11-6-3-7-20-13(11)23/h2-8,11,24H,1H3.
What are the key properties of 3-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-3H-pyridin-2-one?
3-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-3H-pyridin-2-one has a molecular weight of 351.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-3H-pyridin-2-one is sourced from PubChem (CID 154792747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).