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

C16H23N3O3S — CID 34065934

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCc2c(C)noc2C)cc1
InChIInChI=1S/C16H23N3O3S/c1-5-19(6-2)23(20,21)15-9-7-14(8-10-15)17-11-16-12(3)18-22-13(16)4/h7-10,17H,5-6,11H2,1-4H3
InChIKeyAONWIVPZYDELMX-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.93
Rot. Bonds7

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-diethylbenzenesulfonamide (PubChem CID 34065934) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-diethylbenzenesulfonamide
PubChem CID34065934
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCc2c(C)noc2C)cc1
InChIInChI=1S/C16H23N3O3S/c1-5-19(6-2)23(20,21)15-9-7-14(8-10-15)17-11-16-12(3)18-22-13(16)4/h7-10,17H,5-6,11H2,1-4H3
InChIKeyAONWIVPZYDELMX-UHFFFAOYSA-N
XLogP2.93
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-diethylbenzenesulfonamide (CID 34065934) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(NCc2c(C)noc2C)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-diethylbenzenesulfonamide?
The InChIKey is AONWIVPZYDELMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-5-19(6-2)23(20,21)15-9-7-14(8-10-15)17-11-16-12(3)18-22-13(16)4/h7-10,17H,5-6,11H2,1-4H3.
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-diethylbenzenesulfonamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-diethylbenzenesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 34065934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).