N-(2-methoxyethoxy)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C8H14N2O5S — CID 82714251

IUPACN-(2-methoxyethoxy)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCOCCONS(=O)(=O)Cc1cc(C)on1
InChIInChI=1S/C8H14N2O5S/c1-7-5-8(9-15-7)6-16(11,12)10-14-4-3-13-2/h5,10H,3-4,6H2,1-2H3
InChIKeyOOIUAAQGZJVKGH-UHFFFAOYSA-N
MW250.28 g/mol
LogP-0.02
Rot. Bonds7

About N-(2-methoxyethoxy)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-(2-methoxyethoxy)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 82714251) has the molecular formula C8H14N2O5S and a molecular weight of 250.28 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID82714251
Molecular FormulaC8H14N2O5S
Molecular Weight250.28 g/mol
Exact Mass250.06
IUPAC NameN-(2-methoxyethoxy)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCOCCONS(=O)(=O)Cc1cc(C)on1
InChIInChI=1S/C8H14N2O5S/c1-7-5-8(9-15-7)6-16(11,12)10-14-4-3-13-2/h5,10H,3-4,6H2,1-2H3
InChIKeyOOIUAAQGZJVKGH-UHFFFAOYSA-N
XLogP-0.02
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate
CID 43624220
N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43258971
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
N-(2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43502409
N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43133689
(2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid
CID 28788047
(2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]pentanoic acid
CID 28788093
N-[(2R)-1-hydroxypropan-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 64722552
1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide
CID 55101025
N-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43605050
N-(6-hydroxyhexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103918339

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(2-methoxyethoxy)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 82714251) is N-(2-methoxyethoxy)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(2-methoxyethoxy)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(2-methoxyethoxy)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is COCCONS(=O)(=O)Cc1cc(C)on1.
What is the InChIKey of N-(2-methoxyethoxy)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is OOIUAAQGZJVKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5S/c1-7-5-8(9-15-7)6-16(11,12)10-14-4-3-13-2/h5,10H,3-4,6H2,1-2H3.
What are the key properties of N-(2-methoxyethoxy)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-(2-methoxyethoxy)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 250.28 g/mol, XLogP of -0.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 82714251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).