N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide

C11H13N3O3S — CID 45106450

IUPACN-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C11H13N3O3S/c1-8(14-18(2,15)16)11-12-10(13-17-11)9-6-4-3-5-7-9/h3-8,14H,1-2H3
InChIKeyJURLISLLFULTJM-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.35
Rot. Bonds4

About N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide

N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide (PubChem CID 45106450) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide
PubChem CID45106450
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C11H13N3O3S/c1-8(14-18(2,15)16)11-12-10(13-17-11)9-6-4-3-5-7-9/h3-8,14H,1-2H3
InChIKeyJURLISLLFULTJM-UHFFFAOYSA-N
XLogP1.35
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide 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-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide (CID 45106450) is N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide is CC(NS(C)(=O)=O)c1nc(-c2ccccc2)no1.
What is the InChIKey of N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide?
The InChIKey is JURLISLLFULTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-8(14-18(2,15)16)11-12-10(13-17-11)9-6-4-3-5-7-9/h3-8,14H,1-2H3.
What are the key properties of N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide?
N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 45106450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).