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

C15H12F3N3O2S — CID 155075058

IUPAC6-methyl-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]ethyl]pyridin-2-one
SMILESCc1cccc(=O)n1C(C)c1ccc(-c2noc(C(F)(F)F)n2)s1
InChIInChI=1S/C15H12F3N3O2S/c1-8-4-3-5-12(22)21(8)9(2)10-6-7-11(24-10)13-19-14(23-20-13)15(16,17)18/h3-7,9H,1-2H3
InChIKeyBUOJNGUEUPIFEM-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.90
Rot. Bonds3

About 6-methyl-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]ethyl]pyridin-2-one

6-methyl-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]ethyl]pyridin-2-one (PubChem CID 155075058) has the molecular formula C15H12F3N3O2S and a molecular weight of 355.34 g/mol. Its IUPAC name is 6-methyl-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]ethyl]pyridin-2-one
PubChem CID155075058
Molecular FormulaC15H12F3N3O2S
Molecular Weight355.34 g/mol
Exact Mass355.06
IUPAC Name6-methyl-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]ethyl]pyridin-2-one
SMILESCc1cccc(=O)n1C(C)c1ccc(-c2noc(C(F)(F)F)n2)s1
InChIInChI=1S/C15H12F3N3O2S/c1-8-4-3-5-12(22)21(8)9(2)10-6-7-11(24-10)13-19-14(23-20-13)15(16,17)18/h3-7,9H,1-2H3
InChIKeyBUOJNGUEUPIFEM-UHFFFAOYSA-N
XLogP3.90
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-methoxy-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]butan-2-one
CID 165111215
3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135318835
N'-propan-2-yl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide
CID 142423267
methyl 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxylate
CID 14871952
N-propan-2-yl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]imidazole-4-carboxamide
CID 155074883
N-methoxy-N-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]ethyl]cyclopropanecarbothioamide
CID 153354566
2-methyl-N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]butanamide
CID 142423333
1-propan-2-yl-3-prop-2-ynyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea
CID 142423165
methylamino-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrol-2-yl]methanol
CID 167103903
N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 142423345
N,2-dimethoxy-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 142423273
N-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
CID 142423214

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]ethyl]pyridin-2-one?
The IUPAC name of 6-methyl-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]ethyl]pyridin-2-one (CID 155075058) is 6-methyl-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 6-methyl-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]ethyl]pyridin-2-one?
The canonical SMILES for 6-methyl-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]ethyl]pyridin-2-one is Cc1cccc(=O)n1C(C)c1ccc(-c2noc(C(F)(F)F)n2)s1.
What is the InChIKey of 6-methyl-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]ethyl]pyridin-2-one?
The InChIKey is BUOJNGUEUPIFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S/c1-8-4-3-5-12(22)21(8)9(2)10-6-7-11(24-10)13-19-14(23-20-13)15(16,17)18/h3-7,9H,1-2H3.
What are the key properties of 6-methyl-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]ethyl]pyridin-2-one?
6-methyl-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]ethyl]pyridin-2-one has a molecular weight of 355.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 155075058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).