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

C22H18N2O4S — CID 67622817

IUPAC2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1oc(COc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H18N2O4S/c23-29(25,26)19-14-8-7-13-18(19)22-21(16-9-3-1-4-10-16)24-20(28-22)15-27-17-11-5-2-6-12-17/h1-14H,15H2,(H2,23,25,26)
InChIKeyPBMGQOIDOPKKBP-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.24
Rot. Bonds6

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

2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 67622817) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID67622817
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC Name2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1oc(COc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H18N2O4S/c23-29(25,26)19-14-8-7-13-18(19)22-21(16-9-3-1-4-10-16)24-20(28-22)15-27-17-11-5-2-6-12-17/h1-14H,15H2,(H2,23,25,26)
InChIKeyPBMGQOIDOPKKBP-UHFFFAOYSA-N
XLogP4.24
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid
CID 67622923
4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701723
5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole
CID 18701821
2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 173207529
3-[4-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methyl]phenyl]propanoic acid
CID 67771808
N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide
CID 22505284
2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 67625035
N-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 22505474
4-[2-[(2-chlorophenoxy)methyl]-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide
CID 18701887
methyl 2-[5-phenyl-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
CID 67623640
2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide
CID 87974449
3-[2-methyl-4-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methyl]phenyl]prop-2-ynoic acid
CID 67621615

Frequently Asked Questions

What is the IUPAC name of 2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide (CID 67622817) is 2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1oc(COc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is PBMGQOIDOPKKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c23-29(25,26)19-14-8-7-13-18(19)22-21(16-9-3-1-4-10-16)24-20(28-22)15-27-17-11-5-2-6-12-17/h1-14H,15H2,(H2,23,25,26).
What are the key properties of 2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide?
2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 406.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67622817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).