N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide

C11H20N4O3S — CID 79242650

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide
SMILESCc1noc(C)c1C(C)NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H20N4O3S/c1-8-11(10(3)18-13-8)9(2)14-19(16,17)15-6-4-12-5-7-15/h9,12,14H,4-7H2,1-3H3
InChIKeyGFTQSZUATNEEDS-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.09
Rot. Bonds4

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide (PubChem CID 79242650) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide
PubChem CID79242650
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide
SMILESCc1noc(C)c1C(C)NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H20N4O3S/c1-8-11(10(3)18-13-8)9(2)14-19(16,17)15-6-4-12-5-7-15/h9,12,14H,4-7H2,1-3H3
InChIKeyGFTQSZUATNEEDS-UHFFFAOYSA-N
XLogP0.09
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide
CID 79234327
N-[1-(4-methylphenyl)ethyl]piperazine-1-sulfonamide
CID 61253526
1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide
CID 79237652
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide
CID 61253512
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(ethylamino)ethanesulfonamide
CID 79241633
2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 79236641
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide
CID 81245889
3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole
CID 167890240
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide
CID 79236864
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid
CID 167974119
(2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide
CID 97065841
6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 78961556

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide (CID 79242650) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide is Cc1noc(C)c1C(C)NS(=O)(=O)N1CCNCC1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide?
The InChIKey is GFTQSZUATNEEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-8-11(10(3)18-13-8)9(2)14-19(16,17)15-6-4-12-5-7-15/h9,12,14H,4-7H2,1-3H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 79242650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).