1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide

C11H13N3O3S — CID 81169954

IUPAC1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide
SMILESNc1ccccc1CS(=O)(=O)NCc1ccon1
InChIInChI=1S/C11H13N3O3S/c12-11-4-2-1-3-9(11)8-18(15,16)13-7-10-5-6-17-14-10/h1-6,13H,7-8,12H2
InChIKeyWCKQRETYPGFZPX-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.88
Rot. Bonds5

About 1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide

1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide (PubChem CID 81169954) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide
PubChem CID81169954
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide
SMILESNc1ccccc1CS(=O)(=O)NCc1ccon1
InChIInChI=1S/C11H13N3O3S/c12-11-4-2-1-3-9(11)8-18(15,16)13-7-10-5-6-17-14-10/h1-6,13H,7-8,12H2
InChIKeyWCKQRETYPGFZPX-UHFFFAOYSA-N
XLogP0.88
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 82882627
1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 62022430
1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide
CID 71997691
1-(2-aminophenyl)-N-ethylmethanesulfonamide
CID 62021443
1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 62020325
1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide
CID 106006785
2-[(2-aminophenyl)methylsulfonylamino]acetamide
CID 62021826
2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477364
2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide
CID 81178467
2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide
CID 81176880
2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81169956
2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81171163

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide (CID 81169954) is 1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide is Nc1ccccc1CS(=O)(=O)NCc1ccon1.
What is the InChIKey of 1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide?
The InChIKey is WCKQRETYPGFZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c12-11-4-2-1-3-9(11)8-18(15,16)13-7-10-5-6-17-14-10/h1-6,13H,7-8,12H2.
What are the key properties of 1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide?
1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 81169954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).