4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide

C18H18N2O4S — CID 110421910

IUPAC4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(-c2nc(C)oc2C)cc1
InChIInChI=1S/C18H18N2O4S/c1-12-18(19-13(2)24-12)14-8-10-15(11-9-14)25(21,22)20-16-6-4-5-7-17(16)23-3/h4-11,20H,1-3H3
InChIKeyWDVYLHBZKFJING-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.77
Rot. Bonds5

About 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide

4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 110421910) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID110421910
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(-c2nc(C)oc2C)cc1
InChIInChI=1S/C18H18N2O4S/c1-12-18(19-13(2)24-12)14-8-10-15(11-9-14)25(21,22)20-16-6-4-5-7-17(16)23-3/h4-11,20H,1-3H3
InChIKeyWDVYLHBZKFJING-UHFFFAOYSA-N
XLogP3.77
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 110419289
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 110421983
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide
CID 110611820
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 110417093
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 110417096
N-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 110757761
4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 65481190
2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 4962335
methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 678083
2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759877
N-(2-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958977
3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]benzenesulfonamide
CID 110642631

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide (CID 110421910) is 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccc(-c2nc(C)oc2C)cc1.
What is the InChIKey of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is WDVYLHBZKFJING-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-12-18(19-13(2)24-12)14-8-10-15(11-9-14)25(21,22)20-16-6-4-5-7-17(16)23-3/h4-11,20H,1-3H3.
What are the key properties of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide?
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 110421910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).