N-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C12H15N3O4S — CID 43605050

IUPACN-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCOc1cc(NS(=O)(=O)Cc2cc(C)on2)ccc1N
InChIInChI=1S/C12H15N3O4S/c1-8-5-10(14-19-8)7-20(16,17)15-9-3-4-11(13)12(6-9)18-2/h3-6,15H,7,13H2,1-2H3
InChIKeyXTFHOKNQFIDYAV-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.52
Rot. Bonds5

About N-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 43605050) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID43605050
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCOc1cc(NS(=O)(=O)Cc2cc(C)on2)ccc1N
InChIInChI=1S/C12H15N3O4S/c1-8-5-10(14-19-8)7-20(16,17)15-9-3-4-11(13)12(6-9)18-2/h3-6,15H,7,13H2,1-2H3
InChIKeyXTFHOKNQFIDYAV-UHFFFAOYSA-N
XLogP1.52
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43604495
N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide
CID 43604998
N-(5-amino-2-pyridinyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43144678
N-(6-bromo-3-pyridinyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103895771
4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 89340281
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 60812914
methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate
CID 43624220
2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid
CID 107339792
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-hydroxy-4-methoxybutyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103875953
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid
CID 28787877

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 43605050) is N-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is COc1cc(NS(=O)(=O)Cc2cc(C)on2)ccc1N.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is XTFHOKNQFIDYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-8-5-10(14-19-8)7-20(16,17)15-9-3-4-11(13)12(6-9)18-2/h3-6,15H,7,13H2,1-2H3.
What are the key properties of N-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 297.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 43605050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).