4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide

C12H14N2O4S — CID 110611820

IUPAC4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide
SMILESCONS(=O)(=O)c1ccc(-c2nc(C)oc2C)cc1
InChIInChI=1S/C12H14N2O4S/c1-8-12(13-9(2)18-8)10-4-6-11(7-5-10)19(15,16)14-17-3/h4-7,14H,1-3H3
InChIKeyYOFGNRQWVQAMME-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.80
Rot. Bonds4

About 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide

4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide (PubChem CID 110611820) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide
PubChem CID110611820
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide
SMILESCONS(=O)(=O)c1ccc(-c2nc(C)oc2C)cc1
InChIInChI=1S/C12H14N2O4S/c1-8-12(13-9(2)18-8)10-4-6-11(7-5-10)19(15,16)14-17-3/h4-7,14H,1-3H3
InChIKeyYOFGNRQWVQAMME-UHFFFAOYSA-N
XLogP1.80
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 110421910
N-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 110620380
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 110421983
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 110417096
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 110419289
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 110417093
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide
CID 110414948
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110675358
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 110632442
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 110634121
3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]benzenesulfonamide
CID 110642631
4-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2,5-dimethyl-1,3-oxazole
CID 110410978

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide?
The IUPAC name of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide (CID 110611820) is 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide.
What is the SMILES notation for 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide?
The canonical SMILES for 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide is CONS(=O)(=O)c1ccc(-c2nc(C)oc2C)cc1.
What is the InChIKey of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide?
The InChIKey is YOFGNRQWVQAMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-8-12(13-9(2)18-8)10-4-6-11(7-5-10)19(15,16)14-17-3/h4-7,14H,1-3H3.
What are the key properties of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide?
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide has a molecular weight of 282.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide is sourced from PubChem (CID 110611820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).