3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate

C16H16N2O5S — CID 142774855

IUPAC3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate
SMILESCc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1O.O
InChIInChI=1S/C16H14N2O4S.H2O/c1-10-15(16(18-22-10)11-5-3-2-4-6-11)13-8-7-12(9-14(13)19)23(17,20)21;/h2-9,19H,1H3,(H2,17,20,21);1H2
InChIKeyCAEGBJANZIMHJX-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.85
Rot. Bonds3

About 3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate

3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate (PubChem CID 142774855) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate.

Molecular Properties

Compound Name3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate
PubChem CID142774855
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate
SMILESCc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1O.O
InChIInChI=1S/C16H14N2O4S.H2O/c1-10-15(16(18-22-10)11-5-3-2-4-6-11)13-8-7-12(9-14(13)19)23(17,20)21;/h2-9,19H,1H3,(H2,17,20,21);1H2
InChIKeyCAEGBJANZIMHJX-UHFFFAOYSA-N
XLogP1.85
TPSA137.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-(113C)methyl-3-phenyl-(513C,215N)1,2-oxazol-4-yl)benzenesulfonamide
CID 46783221
methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 160931998
4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 10249970
methyl 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonate
CID 91810729
4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 10171927
2-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 67560551
2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid
CID 152771184
4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
CID 58833412
2,2-dimethyl-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamide
CID 22643578
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole
CID 16722696
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide
CID 69083499
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylbutanamide
CID 10501495

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate?
The IUPAC name of 3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate (CID 142774855) is 3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate.
What is the SMILES notation for 3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate?
The canonical SMILES for 3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate is Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1O.O.
What is the InChIKey of 3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate?
The InChIKey is CAEGBJANZIMHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S.H2O/c1-10-15(16(18-22-10)11-5-3-2-4-6-11)13-8-7-12(9-14(13)19)23(17,20)21;/h2-9,19H,1H3,(H2,17,20,21);1H2.
What are the key properties of 3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate?
3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate has a molecular weight of 348.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate is sourced from PubChem (CID 142774855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).