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

C5H8N2O3S — CID 28788245

IUPAC(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(N)(=O)=O)no1
InChIInChI=1S/C5H8N2O3S/c1-4-2-5(7-10-4)3-11(6,8)9/h2H,3H2,1H3,(H2,6,8,9)
InChIKeySLRNOCFPPZPYNY-UHFFFAOYSA-N
MW176.20 g/mol
LogP-0.23
Rot. Bonds2

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

(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 28788245) has the molecular formula C5H8N2O3S and a molecular weight of 176.20 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID28788245
Molecular FormulaC5H8N2O3S
Molecular Weight176.20 g/mol
Exact Mass176.03
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(N)(=O)=O)no1
InChIInChI=1S/C5H8N2O3S/c1-4-2-5(7-10-4)3-11(6,8)9/h2H,3H2,1H3,(H2,6,8,9)
InChIKeySLRNOCFPPZPYNY-UHFFFAOYSA-N
XLogP-0.23
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 28788245) is (5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1cc(CS(N)(=O)=O)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is SLRNOCFPPZPYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S/c1-4-2-5(7-10-4)3-11(6,8)9/h2H,3H2,1H3,(H2,6,8,9).
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 176.20 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 28788245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).