3-(methoxymethyl)-1,2-oxazole-5-sulfonamide

C5H8N2O4S — CID 167722633

IUPAC3-(methoxymethyl)-1,2-oxazole-5-sulfonamide
SMILESCOCc1cc(S(N)(=O)=O)on1
InChIInChI=1S/C5H8N2O4S/c1-10-3-4-2-5(11-7-4)12(6,8)9/h2H,3H2,1H3,(H2,6,8,9)
InChIKeyIYHRTCUJDCDXCQ-UHFFFAOYSA-N
MW192.20 g/mol
LogP-0.53
Rot. Bonds3

About 3-(methoxymethyl)-1,2-oxazole-5-sulfonamide

3-(methoxymethyl)-1,2-oxazole-5-sulfonamide (PubChem CID 167722633) has the molecular formula C5H8N2O4S and a molecular weight of 192.20 g/mol. Its IUPAC name is 3-(methoxymethyl)-1,2-oxazole-5-sulfonamide.

Molecular Properties

Compound Name3-(methoxymethyl)-1,2-oxazole-5-sulfonamide
PubChem CID167722633
Molecular FormulaC5H8N2O4S
Molecular Weight192.20 g/mol
Exact Mass192.02
IUPAC Name3-(methoxymethyl)-1,2-oxazole-5-sulfonamide
SMILESCOCc1cc(S(N)(=O)=O)on1
InChIInChI=1S/C5H8N2O4S/c1-10-3-4-2-5(11-7-4)12(6,8)9/h2H,3H2,1H3,(H2,6,8,9)
InChIKeyIYHRTCUJDCDXCQ-UHFFFAOYSA-N
XLogP-0.53
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1,2-oxazole-5-sulfonamide?
The IUPAC name of 3-(methoxymethyl)-1,2-oxazole-5-sulfonamide (CID 167722633) is 3-(methoxymethyl)-1,2-oxazole-5-sulfonamide.
What is the SMILES notation for 3-(methoxymethyl)-1,2-oxazole-5-sulfonamide?
The canonical SMILES for 3-(methoxymethyl)-1,2-oxazole-5-sulfonamide is COCc1cc(S(N)(=O)=O)on1.
What is the InChIKey of 3-(methoxymethyl)-1,2-oxazole-5-sulfonamide?
The InChIKey is IYHRTCUJDCDXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O4S/c1-10-3-4-2-5(11-7-4)12(6,8)9/h2H,3H2,1H3,(H2,6,8,9).
What are the key properties of 3-(methoxymethyl)-1,2-oxazole-5-sulfonamide?
3-(methoxymethyl)-1,2-oxazole-5-sulfonamide has a molecular weight of 192.20 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1,2-oxazole-5-sulfonamide is sourced from PubChem (CID 167722633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).