N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)-2-phenylbenzenesulfonamide

C19H20N2O4S — CID 171572160

IUPACN-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)-2-phenylbenzenesulfonamide
SMILESCOCN(c1noc(C)c1C)S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H20N2O4S/c1-14-15(2)25-20-19(14)21(13-24-3)26(22,23)18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-12H,13H2,1-3H3
InChIKeyFRDZJMFGKJOISW-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.76
Rot. Bonds6

About N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)-2-phenylbenzenesulfonamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)-2-phenylbenzenesulfonamide (PubChem CID 171572160) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)-2-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)-2-phenylbenzenesulfonamide
PubChem CID171572160
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)-2-phenylbenzenesulfonamide
SMILESCOCN(c1noc(C)c1C)S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H20N2O4S/c1-14-15(2)25-20-19(14)21(13-24-3)26(22,23)18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-12H,13H2,1-3H3
InChIKeyFRDZJMFGKJOISW-UHFFFAOYSA-N
XLogP3.76
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)-2-phenylbenzenesulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)-2-phenylbenzenesulfonamide (CID 171572160) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)-2-phenylbenzenesulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)-2-phenylbenzenesulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)-2-phenylbenzenesulfonamide is COCN(c1noc(C)c1C)S(=O)(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)-2-phenylbenzenesulfonamide?
The InChIKey is FRDZJMFGKJOISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-14-15(2)25-20-19(14)21(13-24-3)26(22,23)18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-12H,13H2,1-3H3.
What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)-2-phenylbenzenesulfonamide?
N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)-2-phenylbenzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)-2-phenylbenzenesulfonamide is sourced from PubChem (CID 171572160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).