N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(3-fluoro-4-methylsulfonylphenyl)ethanamine

C15H20FN3O3S — CID 75443084

IUPACN-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(3-fluoro-4-methylsulfonylphenyl)ethanamine
SMILESCCc1nnc(C(C)NC(C)c2ccc(S(C)(=O)=O)c(F)c2)o1
InChIInChI=1S/C15H20FN3O3S/c1-5-14-18-19-15(22-14)10(3)17-9(2)11-6-7-13(12(16)8-11)23(4,20)21/h6-10,17H,5H2,1-4H3
InChIKeyQKXKPWCSQQFHCA-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.59
Rot. Bonds6

About N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(3-fluoro-4-methylsulfonylphenyl)ethanamine

N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(3-fluoro-4-methylsulfonylphenyl)ethanamine (PubChem CID 75443084) has the molecular formula C15H20FN3O3S and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(3-fluoro-4-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(3-fluoro-4-methylsulfonylphenyl)ethanamine
PubChem CID75443084
Molecular FormulaC15H20FN3O3S
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC NameN-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(3-fluoro-4-methylsulfonylphenyl)ethanamine
SMILESCCc1nnc(C(C)NC(C)c2ccc(S(C)(=O)=O)c(F)c2)o1
InChIInChI=1S/C15H20FN3O3S/c1-5-14-18-19-15(22-14)10(3)17-9(2)11-6-7-13(12(16)8-11)23(4,20)21/h6-10,17H,5H2,1-4H3
InChIKeyQKXKPWCSQQFHCA-UHFFFAOYSA-N
XLogP2.59
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(3-fluoro-4-methylsulfonylphenyl)ethanamine 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 N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(3-fluoro-4-methylsulfonylphenyl)ethanamine?
The IUPAC name of N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(3-fluoro-4-methylsulfonylphenyl)ethanamine (CID 75443084) is N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(3-fluoro-4-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(3-fluoro-4-methylsulfonylphenyl)ethanamine?
The canonical SMILES for N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(3-fluoro-4-methylsulfonylphenyl)ethanamine is CCc1nnc(C(C)NC(C)c2ccc(S(C)(=O)=O)c(F)c2)o1.
What is the InChIKey of N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(3-fluoro-4-methylsulfonylphenyl)ethanamine?
The InChIKey is QKXKPWCSQQFHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3S/c1-5-14-18-19-15(22-14)10(3)17-9(2)11-6-7-13(12(16)8-11)23(4,20)21/h6-10,17H,5H2,1-4H3.
What are the key properties of N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(3-fluoro-4-methylsulfonylphenyl)ethanamine?
N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(3-fluoro-4-methylsulfonylphenyl)ethanamine has a molecular weight of 341.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(3-fluoro-4-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 75443084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).