N-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C12H14N2O4S — CID 79601438

IUPACN-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)Nc2cccc(C)c2O)no1
InChIInChI=1S/C12H14N2O4S/c1-8-4-3-5-11(12(8)15)14-19(16,17)7-10-6-9(2)18-13-10/h3-6,14-15H,7H2,1-2H3
InChIKeyCQFODTCNPOAVAK-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.94
Rot. Bonds4

About N-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 79601438) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID79601438
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC NameN-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)Nc2cccc(C)c2O)no1
InChIInChI=1S/C12H14N2O4S/c1-8-4-3-5-11(12(8)15)14-19(16,17)7-10-6-9(2)18-13-10/h3-6,14-15H,7H2,1-2H3
InChIKeyCQFODTCNPOAVAK-UHFFFAOYSA-N
XLogP1.94
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]benzoic acid
CID 104833138
4-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]benzoic acid
CID 60828347
N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43258971
1-(5-methyl-1,2-oxazol-3-yl)-N-(1H-pyrazol-5-yl)methanesulfonamide
CID 61394269
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 60812914
N-(3-chloro-2-pyridinyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 113356222
N-(4-bromo-2-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 82708216
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid
CID 28787877
N-(6-hydroxyhexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103918339
N-(5-amino-2-pyridinyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43144678
N-(2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43502409
N-(6-bromo-3-pyridinyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103895771

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 79601438) is N-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1cc(CS(=O)(=O)Nc2cccc(C)c2O)no1.
What is the InChIKey of N-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is CQFODTCNPOAVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-8-4-3-5-11(12(8)15)14-19(16,17)7-10-6-9(2)18-13-10/h3-6,14-15H,7H2,1-2H3.
What are the key properties of N-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 282.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 79601438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).