N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(trifluoromethylsulfanyl)acetamide

C11H14F3N3O2S — CID 55671011

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESCc1nc(C2(NC(=O)CSC(F)(F)F)CCCC2)no1
InChIInChI=1S/C11H14F3N3O2S/c1-7-15-9(17-19-7)10(4-2-3-5-10)16-8(18)6-20-11(12,13)14/h2-6H2,1H3,(H,16,18)
InChIKeyWPAOKXWTTYCEFU-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.52
Rot. Bonds4

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(trifluoromethylsulfanyl)acetamide

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 55671011) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(trifluoromethylsulfanyl)acetamide
PubChem CID55671011
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESCc1nc(C2(NC(=O)CSC(F)(F)F)CCCC2)no1
InChIInChI=1S/C11H14F3N3O2S/c1-7-15-9(17-19-7)10(4-2-3-5-10)16-8(18)6-20-11(12,13)14/h2-6H2,1H3,(H,16,18)
InChIKeyWPAOKXWTTYCEFU-UHFFFAOYSA-N
XLogP2.52
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(trifluoromethylsulfanyl)acetamide (CID 55671011) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(trifluoromethylsulfanyl)acetamide is Cc1nc(C2(NC(=O)CSC(F)(F)F)CCCC2)no1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is WPAOKXWTTYCEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-7-15-9(17-19-7)10(4-2-3-5-10)16-8(18)6-20-11(12,13)14/h2-6H2,1H3,(H,16,18).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(trifluoromethylsulfanyl)acetamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 309.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 55671011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).