N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylethanesulfonamide

C8H13BrN2O4S — CID 166377149

IUPACN-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylethanesulfonamide
SMILESCc1noc(CN(C)S(=O)(=O)CCO)c1Br
InChIInChI=1S/C8H13BrN2O4S/c1-6-8(9)7(15-10-6)5-11(2)16(13,14)4-3-12/h12H,3-5H2,1-2H3
InChIKeyXGPFXOBKDMZPAF-UHFFFAOYSA-N
MW313.17 g/mol
LogP0.50
Rot. Bonds5

About N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylethanesulfonamide

N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylethanesulfonamide (PubChem CID 166377149) has the molecular formula C8H13BrN2O4S and a molecular weight of 313.17 g/mol. Its IUPAC name is N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylethanesulfonamide
PubChem CID166377149
Molecular FormulaC8H13BrN2O4S
Molecular Weight313.17 g/mol
Exact Mass311.98
IUPAC NameN-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylethanesulfonamide
SMILESCc1noc(CN(C)S(=O)(=O)CCO)c1Br
InChIInChI=1S/C8H13BrN2O4S/c1-6-8(9)7(15-10-6)5-11(2)16(13,14)4-3-12/h12H,3-5H2,1-2H3
InChIKeyXGPFXOBKDMZPAF-UHFFFAOYSA-N
XLogP0.50
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylethanesulfonamide 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

N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-N-ethylethanamine
CID 13312712
2-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide
CID 79578513
4-bromo-5-(cyclohexylmethylsulfonylmethyl)-3-methyl-1,2-oxazole
CID 167971874
N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 47318835
2-[2-hydroxyethylsulfonyl(methyl)amino]acetamide
CID 79588713
(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl-diethyl-methylazanium bromide
CID 44783854
4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol
CID 170476060
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylpropane-1-sulfonamide
CID 99799701
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide
CID 61356856
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide
CID 91829294
N-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 110636148
5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide
CID 130964727

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylethanesulfonamide?
The IUPAC name of N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylethanesulfonamide (CID 166377149) is N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylethanesulfonamide.
What is the SMILES notation for N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylethanesulfonamide?
The canonical SMILES for N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylethanesulfonamide is Cc1noc(CN(C)S(=O)(=O)CCO)c1Br.
What is the InChIKey of N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylethanesulfonamide?
The InChIKey is XGPFXOBKDMZPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O4S/c1-6-8(9)7(15-10-6)5-11(2)16(13,14)4-3-12/h12H,3-5H2,1-2H3.
What are the key properties of N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylethanesulfonamide?
N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylethanesulfonamide has a molecular weight of 313.17 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylethanesulfonamide is sourced from PubChem (CID 166377149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).