N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide

C17H16N2O4S — CID 110402439

IUPACN-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2cnoc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16N2O4S/c1-12-3-9-15(10-4-12)24(20,21)19-17-16(11-18-23-17)13-5-7-14(22-2)8-6-13/h3-11,19H,1-2H3
InChIKeyFYRNHCIAZIPSSW-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.46
Rot. Bonds5

About N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide

N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide (PubChem CID 110402439) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
PubChem CID110402439
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2cnoc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16N2O4S/c1-12-3-9-15(10-4-12)24(20,21)19-17-16(11-18-23-17)13-5-7-14(22-2)8-6-13/h3-11,19H,1-2H3
InChIKeyFYRNHCIAZIPSSW-UHFFFAOYSA-N
XLogP3.46
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
CID 110402463
4-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,5-dimethylbenzenesulfonamide
CID 110402462
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110402478
4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide
CID 110402451
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110402482
5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide
CID 110402489
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide
CID 110402437
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide
CID 110402703
3-chloro-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methoxybenzenesulfonamide
CID 110402595
3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 110402160
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)benzenesulfonamide
CID 15453187
4-methoxy-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714466

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide (CID 110402439) is N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide is COc1ccc(-c2cnoc2NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide?
The InChIKey is FYRNHCIAZIPSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-12-3-9-15(10-4-12)24(20,21)19-17-16(11-18-23-17)13-5-7-14(22-2)8-6-13/h3-11,19H,1-2H3.
What are the key properties of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide?
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 110402439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).