N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide

C15H12F3N5O2 — CID 25283158

IUPACN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCc1cc(-c2nnc(NC(=O)c3cccc(C(F)(F)F)c3)o2)nn1C
InChIInChI=1S/C15H12F3N5O2/c1-8-6-11(22-23(8)2)13-20-21-14(25-13)19-12(24)9-4-3-5-10(7-9)15(16,17)18/h3-7H,1-2H3,(H,19,21,24)
InChIKeyYPWAWSXGEBLOSJ-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.05
Rot. Bonds3

About N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide

N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 25283158) has the molecular formula C15H12F3N5O2 and a molecular weight of 351.29 g/mol. Its IUPAC name is N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID25283158
Molecular FormulaC15H12F3N5O2
Molecular Weight351.29 g/mol
Exact Mass351.09
IUPAC NameN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCc1cc(-c2nnc(NC(=O)c3cccc(C(F)(F)F)c3)o2)nn1C
InChIInChI=1S/C15H12F3N5O2/c1-8-6-11(22-23(8)2)13-20-21-14(25-13)19-12(24)9-4-3-5-10(7-9)15(16,17)18/h3-7H,1-2H3,(H,19,21,24)
InChIKeyYPWAWSXGEBLOSJ-UHFFFAOYSA-N
XLogP3.05
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(1,3-dimethyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 25818819
N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 16952829
N-[5-(1-methyl-5-methyl-3-pyrazolyl)-1,3,4-oxadiazol-2-yl]o-fluorobenzamide
CID 25283200
N-[5-(1,5-dimethyl-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 25283224
N-[5-(1,5-dimethyl-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 25283247
N-[5-(1,3-dimethyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 25818756
N-[5-(1,3-dimethyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 25818793
N-(5-(1,3-dimethyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl)-2-fluorobenzamide
CID 25818835
N-(5-(1,3-dimethyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 25818895
N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 25835719
N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 25843659
1-ethyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 25855634

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide (CID 25283158) is N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide is Cc1cc(-c2nnc(NC(=O)c3cccc(C(F)(F)F)c3)o2)nn1C.
What is the InChIKey of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is YPWAWSXGEBLOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O2/c1-8-6-11(22-23(8)2)13-20-21-14(25-13)19-12(24)9-4-3-5-10(7-9)15(16,17)18/h3-7H,1-2H3,(H,19,21,24).
What are the key properties of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 351.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 25283158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).