(2-methylsulfonyl-1,3-oxazol-4-yl)methanol

C5H7NO4S — CID 88991747

IUPAC(2-methylsulfonyl-1,3-oxazol-4-yl)methanol
SMILESCS(=O)(=O)c1nc(CO)co1
InChIInChI=1S/C5H7NO4S/c1-11(8,9)5-6-4(2-7)3-10-5/h3,7H,2H2,1H3
InChIKeyMOXXIIQAWXOMHV-UHFFFAOYSA-N
MW177.18 g/mol
LogP-0.43
Rot. Bonds2

About (2-methylsulfonyl-1,3-oxazol-4-yl)methanol

(2-methylsulfonyl-1,3-oxazol-4-yl)methanol (PubChem CID 88991747) has the molecular formula C5H7NO4S and a molecular weight of 177.18 g/mol. Its IUPAC name is (2-methylsulfonyl-1,3-oxazol-4-yl)methanol.

Molecular Properties

Compound Name(2-methylsulfonyl-1,3-oxazol-4-yl)methanol
PubChem CID88991747
Molecular FormulaC5H7NO4S
Molecular Weight177.18 g/mol
Exact Mass177.01
IUPAC Name(2-methylsulfonyl-1,3-oxazol-4-yl)methanol
SMILESCS(=O)(=O)c1nc(CO)co1
InChIInChI=1S/C5H7NO4S/c1-11(8,9)5-6-4(2-7)3-10-5/h3,7H,2H2,1H3
InChIKeyMOXXIIQAWXOMHV-UHFFFAOYSA-N
XLogP-0.43
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfonyl-1,3-oxazol-4-yl)methanol?
The IUPAC name of (2-methylsulfonyl-1,3-oxazol-4-yl)methanol (CID 88991747) is (2-methylsulfonyl-1,3-oxazol-4-yl)methanol.
What is the SMILES notation for (2-methylsulfonyl-1,3-oxazol-4-yl)methanol?
The canonical SMILES for (2-methylsulfonyl-1,3-oxazol-4-yl)methanol is CS(=O)(=O)c1nc(CO)co1.
What is the InChIKey of (2-methylsulfonyl-1,3-oxazol-4-yl)methanol?
The InChIKey is MOXXIIQAWXOMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4S/c1-11(8,9)5-6-4(2-7)3-10-5/h3,7H,2H2,1H3.
What are the key properties of (2-methylsulfonyl-1,3-oxazol-4-yl)methanol?
(2-methylsulfonyl-1,3-oxazol-4-yl)methanol has a molecular weight of 177.18 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfonyl-1,3-oxazol-4-yl)methanol is sourced from PubChem (CID 88991747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).