5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide

C15H20N2O4S — CID 56950424

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)NCCCO
InChIInChI=1S/C15H20N2O4S/c1-10-5-6-13(15-11(2)17-21-12(15)3)9-14(10)22(19,20)16-7-4-8-18/h5-6,9,16,18H,4,7-8H2,1-3H3
InChIKeyCSJAANWZLHJVMP-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.93
Rot. Bonds6

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide (PubChem CID 56950424) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide
PubChem CID56950424
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)NCCCO
InChIInChI=1S/C15H20N2O4S/c1-10-5-6-13(15-11(2)17-21-12(15)3)9-14(10)22(19,20)16-7-4-8-18/h5-6,9,16,18H,4,7-8H2,1-3H3
InChIKeyCSJAANWZLHJVMP-UHFFFAOYSA-N
XLogP1.93
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide (CID 56950424) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide is Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)NCCCO.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide?
The InChIKey is CSJAANWZLHJVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-10-5-6-13(15-11(2)17-21-12(15)3)9-14(10)22(19,20)16-7-4-8-18/h5-6,9,16,18H,4,7-8H2,1-3H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide has a molecular weight of 324.40 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 56950424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).