2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxamide

C6H8N2O4S — CID 174340645

IUPAC2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)Cc1nc(C(N)=O)co1
InChIInChI=1S/C6H8N2O4S/c1-13(10,11)3-5-8-4(2-12-5)6(7)9/h2H,3H2,1H3,(H2,7,9)
InChIKeyONVFYHOFHYZYIT-UHFFFAOYSA-N
MW204.21 g/mol
LogP-0.68
Rot. Bonds3

About 2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxamide

2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 174340645) has the molecular formula C6H8N2O4S and a molecular weight of 204.21 g/mol. Its IUPAC name is 2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID174340645
Molecular FormulaC6H8N2O4S
Molecular Weight204.21 g/mol
Exact Mass204.02
IUPAC Name2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)Cc1nc(C(N)=O)co1
InChIInChI=1S/C6H8N2O4S/c1-13(10,11)3-5-8-4(2-12-5)6(7)9/h2H,3H2,1H3,(H2,7,9)
InChIKeyONVFYHOFHYZYIT-UHFFFAOYSA-N
XLogP-0.68
TPSA103.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxamide (CID 174340645) is 2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxamide is CS(=O)(=O)Cc1nc(C(N)=O)co1.
What is the InChIKey of 2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ONVFYHOFHYZYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4S/c1-13(10,11)3-5-8-4(2-12-5)6(7)9/h2H,3H2,1H3,(H2,7,9).
What are the key properties of 2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxamide?
2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 204.21 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 174340645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).