N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H14N2O5S — CID 114764739

IUPACN-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1cccc(O)c1NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C12H14N2O5S/c1-7-12(8(2)19-13-7)20(16,17)14-11-9(15)5-4-6-10(11)18-3/h4-6,14-15H,1-3H3
InChIKeyBPYJKWMGURGWKP-UHFFFAOYSA-N
MW298.32 g/mol
LogP1.81
Rot. Bonds4

About N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 114764739) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID114764739
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC NameN-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1cccc(O)c1NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C12H14N2O5S/c1-7-12(8(2)19-13-7)20(16,17)14-11-9(15)5-4-6-10(11)18-3/h4-6,14-15H,1-3H3
InChIKeyBPYJKWMGURGWKP-UHFFFAOYSA-N
XLogP1.81
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 107468239
N-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113392334
N-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39853829
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3238779
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113041737
N-[6-(2-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113019369
N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 31815213
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 90598090
N-(3-benzyl-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 27301181
N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47310519
3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide
CID 110776931

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 114764739) is N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1cccc(O)c1NS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is BPYJKWMGURGWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-7-12(8(2)19-13-7)20(16,17)14-11-9(15)5-4-6-10(11)18-3/h4-6,14-15H,1-3H3.
What are the key properties of N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 298.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 114764739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).