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

C15H10F3N3O2 — CID 157478881

IUPAC4-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2nc(Cc3cccc(C(F)(F)F)c3)no2)cc[nH]1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)11-3-1-2-9(6-11)7-12-20-14(23-21-12)10-4-5-19-13(22)8-10/h1-6,8H,7H2,(H,19,22)
InChIKeyBVXRWHQXNGDKPR-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.03
Rot. Bonds3

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

4-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one (PubChem CID 157478881) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 4-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
PubChem CID157478881
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name4-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2nc(Cc3cccc(C(F)(F)F)c3)no2)cc[nH]1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)11-3-1-2-9(6-11)7-12-20-14(23-21-12)10-4-5-19-13(22)8-10/h1-6,8H,7H2,(H,19,22)
InChIKeyBVXRWHQXNGDKPR-UHFFFAOYSA-N
XLogP3.03
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one
CID 159038267
2-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]acetic acid
CID 3492218
N-methyl-1-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115079251
5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
CID 102618418
2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115078816
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
1-pyridin-4-yl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 56861728
4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904425
6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
CID 154239731
3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 12569663
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19324593
5-(3-ethoxycyclobutyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
CID 126805916

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one (CID 157478881) is 4-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one is O=c1cc(-c2nc(Cc3cccc(C(F)(F)F)c3)no2)cc[nH]1.
What is the InChIKey of 4-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The InChIKey is BVXRWHQXNGDKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-15(17,18)11-3-1-2-9(6-11)7-12-20-14(23-21-12)10-4-5-19-13(22)8-10/h1-6,8H,7H2,(H,19,22).
What are the key properties of 4-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
4-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one has a molecular weight of 321.26 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 157478881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).