N-[(2-methyl-1,3-oxazol-4-yl)methyl]ethanesulfonamide

C7H12N2O3S — CID 110714665

IUPACN-[(2-methyl-1,3-oxazol-4-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1coc(C)n1
InChIInChI=1S/C7H12N2O3S/c1-3-13(10,11)8-4-7-5-12-6(2)9-7/h5,8H,3-4H2,1-2H3
InChIKeyWJOWEWULKPFQLH-UHFFFAOYSA-N
MW204.25 g/mol
LogP0.42
Rot. Bonds4

About N-[(2-methyl-1,3-oxazol-4-yl)methyl]ethanesulfonamide

N-[(2-methyl-1,3-oxazol-4-yl)methyl]ethanesulfonamide (PubChem CID 110714665) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is N-[(2-methyl-1,3-oxazol-4-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-oxazol-4-yl)methyl]ethanesulfonamide
PubChem CID110714665
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC NameN-[(2-methyl-1,3-oxazol-4-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1coc(C)n1
InChIInChI=1S/C7H12N2O3S/c1-3-13(10,11)8-4-7-5-12-6(2)9-7/h5,8H,3-4H2,1-2H3
InChIKeyWJOWEWULKPFQLH-UHFFFAOYSA-N
XLogP0.42
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 110714728
5-ethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714698
4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 110714673
5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714729
5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714699
2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 110714688
(2-methyl-1,3-oxazol-4-yl)methyl methanesulfonate
CID 86596672
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanesulfonamide
CID 110318373
3,4-dimethyl-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110718642
N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 71985540
3-(2-methyl-1,3-oxazol-4-yl)-N-propan-2-ylpropanamide
CID 110679159
N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-oxazol-4-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(2-methyl-1,3-oxazol-4-yl)methyl]ethanesulfonamide (CID 110714665) is N-[(2-methyl-1,3-oxazol-4-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(2-methyl-1,3-oxazol-4-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(2-methyl-1,3-oxazol-4-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1coc(C)n1.
What is the InChIKey of N-[(2-methyl-1,3-oxazol-4-yl)methyl]ethanesulfonamide?
The InChIKey is WJOWEWULKPFQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-3-13(10,11)8-4-7-5-12-6(2)9-7/h5,8H,3-4H2,1-2H3.
What are the key properties of N-[(2-methyl-1,3-oxazol-4-yl)methyl]ethanesulfonamide?
N-[(2-methyl-1,3-oxazol-4-yl)methyl]ethanesulfonamide has a molecular weight of 204.25 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-oxazol-4-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 110714665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).