N-cyclopentyl-2-[5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]acetamide

C15H18F3N5O2 — CID 155953498

IUPACN-cyclopentyl-2-[5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCC(c1nc(CC(=O)NC2CCCC2)no1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H18F3N5O2/c1-9(23-7-6-11(21-23)15(16,17)18)14-20-12(22-25-14)8-13(24)19-10-4-2-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,19,24)
InChIKeySHBGRQOEGWRKCO-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.50
Rot. Bonds5

About N-cyclopentyl-2-[5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]acetamide

N-cyclopentyl-2-[5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 155953498) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is N-cyclopentyl-2-[5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID155953498
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC NameN-cyclopentyl-2-[5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCC(c1nc(CC(=O)NC2CCCC2)no1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H18F3N5O2/c1-9(23-7-6-11(21-23)15(16,17)18)14-20-12(22-25-14)8-13(24)19-10-4-2-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,19,24)
InChIKeySHBGRQOEGWRKCO-UHFFFAOYSA-N
XLogP2.50
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,4-oxadiazole
CID 155953508
5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole
CID 170758441
N-cyclopentyl-2-[5-(2-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 86801808
N-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 99716263
2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide
CID 51727825
N-cyclopentyl-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 39340819
N-cyclopentyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 4772164
[1-[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azepan-4-yl]urea
CID 167843276
N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 120835209
N-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide
CID 51088829
N-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71557005
N-cyclopentyl-3-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide
CID 95284643

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]acetamide (CID 155953498) is N-cyclopentyl-2-[5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]acetamide is CC(c1nc(CC(=O)NC2CCCC2)no1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-cyclopentyl-2-[5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is SHBGRQOEGWRKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2/c1-9(23-7-6-11(21-23)15(16,17)18)14-20-12(22-25-14)8-13(24)19-10-4-2-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,19,24).
What are the key properties of N-cyclopentyl-2-[5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]acetamide?
N-cyclopentyl-2-[5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 357.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 155953498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).