3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-sulfonamide

C15H19N3O4S — CID 2813422

IUPAC3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C15H19N3O4S/c1-11-15(12(2)22-16-11)23(19,20)17-13-5-3-4-6-14(13)18-7-9-21-10-8-18/h3-6,17H,7-10H2,1-2H3
InChIKeySQLSADGEPLUWCO-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.93
Rot. Bonds4

About 3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-sulfonamide (PubChem CID 2813422) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-sulfonamide
PubChem CID2813422
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C15H19N3O4S/c1-11-15(12(2)22-16-11)23(19,20)17-13-5-3-4-6-14(13)18-7-9-21-10-8-18/h3-6,17H,7-10H2,1-2H3
InChIKeySQLSADGEPLUWCO-UHFFFAOYSA-N
XLogP1.93
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-sulfonamide (CID 2813422) is 3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is SQLSADGEPLUWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-11-15(12(2)22-16-11)23(19,20)17-13-5-3-4-6-14(13)18-7-9-21-10-8-18/h3-6,17H,7-10H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 337.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 2813422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).