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

C16H23N3O3S — CID 71885857

IUPAC4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1noc(C)c1CNC(C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H23N3O3S/c1-11(17-10-16-12(2)18-22-13(16)3)14-6-8-15(9-7-14)23(20,21)19(4)5/h6-9,11,17H,10H2,1-5H3
InChIKeyNGDXVSMJCAXVFR-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.39
Rot. Bonds6

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

4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 71885857) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
PubChem CID71885857
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1noc(C)c1CNC(C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H23N3O3S/c1-11(17-10-16-12(2)18-22-13(16)3)14-6-8-15(9-7-14)23(20,21)19(4)5/h6-9,11,17H,10H2,1-5H3
InChIKeyNGDXVSMJCAXVFR-UHFFFAOYSA-N
XLogP2.39
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide (CID 71885857) is 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide is Cc1noc(C)c1CNC(C)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is NGDXVSMJCAXVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-11(17-10-16-12(2)18-22-13(16)3)14-6-8-15(9-7-14)23(20,21)19(4)5/h6-9,11,17H,10H2,1-5H3.
What are the key properties of 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 71885857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).