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

C15H10F3N3O2 — CID 8012203

IUPAC1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)11-6-7-13(22)21(8-11)9-12-19-14(20-23-12)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyBCVUFSQIRXYVIK-UHFFFAOYSA-N
MW321.26 g/mol
LogP2.97
Rot. Bonds3

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

1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 8012203) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID8012203
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)11-6-7-13(22)21(8-11)9-12-19-14(20-23-12)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyBCVUFSQIRXYVIK-UHFFFAOYSA-N
XLogP2.97
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
CID 30175663
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 7893131
3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 175684554
5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 23605175
5-(azepan-1-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 6485769
1-[(3-methylquinoxalin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 51142128
4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 8962629
2-(4-methylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53076177
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 39060063
5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 32741986
(2R,6S)-2,6-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 25310094
6-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947515

Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 8012203) is 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is BCVUFSQIRXYVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-15(17,18)11-6-7-13(22)21(8-11)9-12-19-14(20-23-12)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 321.26 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 8012203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).