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

C13H12F3N3O2 — CID 146309746

IUPAC1-(3-methylbut-2-enyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one
SMILESCC(C)=CCn1ccc(-c2nnc(C(F)(F)F)o2)cc1=O
InChIInChI=1S/C13H12F3N3O2/c1-8(2)3-5-19-6-4-9(7-10(19)20)11-17-18-12(21-11)13(14,15)16/h3-4,6-7H,5H2,1-2H3
InChIKeyBPUUKKCVMAMQGJ-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.88
Rot. Bonds3

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

1-(3-methylbut-2-enyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one (PubChem CID 146309746) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one
PubChem CID146309746
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name1-(3-methylbut-2-enyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one
SMILESCC(C)=CCn1ccc(-c2nnc(C(F)(F)F)o2)cc1=O
InChIInChI=1S/C13H12F3N3O2/c1-8(2)3-5-19-6-4-9(7-10(19)20)11-17-18-12(21-11)13(14,15)16/h3-4,6-7H,5H2,1-2H3
InChIKeyBPUUKKCVMAMQGJ-UHFFFAOYSA-N
XLogP2.88
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(3-methylbut-2-enyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(2,4,5-trifluorophenyl)methyl]pyridin-2-one
CID 146309662
2-[2-oxo-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1-pyridinyl]ethyl benzoate
CID 146309636
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyridin-2-one
CID 146309700
4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 146309694
2-chloro-N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 2781090
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-2-one
CID 156525472
4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 139473568
2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 171390427
2-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 178189718
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one
CID 156525731
2-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 130427978
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-methoxypropyl)pyridin-2-one
CID 167346830

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one?
The IUPAC name of 1-(3-methylbut-2-enyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one (CID 146309746) is 1-(3-methylbut-2-enyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one?
The canonical SMILES for 1-(3-methylbut-2-enyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one is CC(C)=CCn1ccc(-c2nnc(C(F)(F)F)o2)cc1=O.
What is the InChIKey of 1-(3-methylbut-2-enyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one?
The InChIKey is BPUUKKCVMAMQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-8(2)3-5-19-6-4-9(7-10(19)20)11-17-18-12(21-11)13(14,15)16/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one?
1-(3-methylbut-2-enyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one has a molecular weight of 299.25 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one is sourced from PubChem (CID 146309746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).