4-methylsulfanyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pentanamide

C11H16F3N3O2S — CID 146133207

IUPAC4-methylsulfanyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pentanamide
SMILESCSC(C)CCC(=O)NC(C)c1noc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O2S/c1-6(20-3)4-5-8(18)15-7(2)9-16-10(19-17-9)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,18)
InChIKeyYQKPKYFXKKORNS-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.80
Rot. Bonds6

About 4-methylsulfanyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pentanamide

4-methylsulfanyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pentanamide (PubChem CID 146133207) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pentanamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pentanamide
PubChem CID146133207
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name4-methylsulfanyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pentanamide
SMILESCSC(C)CCC(=O)NC(C)c1noc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O2S/c1-6(20-3)4-5-8(18)15-7(2)9-16-10(19-17-9)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,18)
InChIKeyYQKPKYFXKKORNS-UHFFFAOYSA-N
XLogP2.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methylsulfanyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pentanamide?
The IUPAC name of 4-methylsulfanyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pentanamide (CID 146133207) is 4-methylsulfanyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pentanamide.
What is the SMILES notation for 4-methylsulfanyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pentanamide?
The canonical SMILES for 4-methylsulfanyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pentanamide is CSC(C)CCC(=O)NC(C)c1noc(C(F)(F)F)n1.
What is the InChIKey of 4-methylsulfanyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pentanamide?
The InChIKey is YQKPKYFXKKORNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-6(20-3)4-5-8(18)15-7(2)9-16-10(19-17-9)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,18).
What are the key properties of 4-methylsulfanyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pentanamide?
4-methylsulfanyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pentanamide has a molecular weight of 311.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pentanamide is sourced from PubChem (CID 146133207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).