2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide

C22H18N2O4S — CID 173207529

IUPAC2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(-c2nc(-c3ccccc3)oc2-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C22H18N2O4S/c1-27-17-13-11-15(12-14-17)20-21(18-9-5-6-10-19(18)29(23,25)26)28-22(24-20)16-7-3-2-4-8-16/h2-14H,1H3,(H2,23,25,26)
InChIKeyXZNCRWVNFCHMNO-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.33
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide

2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 173207529) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID173207529
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC Name2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(-c2nc(-c3ccccc3)oc2-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C22H18N2O4S/c1-27-17-13-11-15(12-14-17)20-21(18-9-5-6-10-19(18)29(23,25)26)28-22(24-20)16-7-3-2-4-8-16/h2-14H,1H3,(H2,23,25,26)
InChIKeyXZNCRWVNFCHMNO-UHFFFAOYSA-N
XLogP4.33
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 173207146
N-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 22505474
2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 67622817
5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole
CID 139183533
bis(carbamothioic S-acid);methane;2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide;prop-1-yne;hydrate
CID 173207145
N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide
CID 22505284
1-hydroxy-1-[4-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 87973602
5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
CID 173207485
3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid
CID 67622923
4-(2-methoxy-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 18701519
3-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methoxynaphthalen-2-ol
CID 137183963
2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide
CID 87974449

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide (CID 173207529) is 2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide is COc1ccc(-c2nc(-c3ccccc3)oc2-c2ccccc2S(N)(=O)=O)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is XZNCRWVNFCHMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c1-27-17-13-11-15(12-14-17)20-21(18-9-5-6-10-19(18)29(23,25)26)28-22(24-20)16-7-3-2-4-8-16/h2-14H,1H3,(H2,23,25,26).
What are the key properties of 2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide?
2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 406.46 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 173207529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).