4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide

C19H20N2O3S — CID 69083499

IUPAC4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C19H20N2O3S/c1-3-13-20-25(22,23)17-11-9-15(10-12-17)18-14(2)24-21-19(18)16-7-5-4-6-8-16/h4-12,20H,3,13H2,1-2H3
InChIKeyKNPMDJRAJVMBCG-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.01
Rot. Bonds6

About 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide

4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide (PubChem CID 69083499) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide
PubChem CID69083499
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C19H20N2O3S/c1-3-13-20-25(22,23)17-11-9-15(10-12-17)18-14(2)24-21-19(18)16-7-5-4-6-8-16/h4-12,20H,3,13H2,1-2H3
InChIKeyKNPMDJRAJVMBCG-UHFFFAOYSA-N
XLogP4.01
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylbutanamide
CID 10501495
4-(5-(113C)methyl-3-phenyl-(513C,215N)1,2-oxazol-4-yl)benzenesulfonamide
CID 46783221
2-ethoxy-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide
CID 22643560
methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 160931998
2,2-dimethyl-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamide
CID 22643578
N-(1,1-dimethoxyhexan-2-yl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 169084357
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 53054383
methyl 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonate
CID 91810729
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
CID 171679381
4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
CID 58833412
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
CID 59810471

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide?
The IUPAC name of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide (CID 69083499) is 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide?
The canonical SMILES for 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1.
What is the InChIKey of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide?
The InChIKey is KNPMDJRAJVMBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-3-13-20-25(22,23)17-11-9-15(10-12-17)18-14(2)24-21-19(18)16-7-5-4-6-8-16/h4-12,20H,3,13H2,1-2H3.
What are the key properties of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide?
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 69083499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).