3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1,2-oxazole-4-sulfonamide

C9H11N3O4S — CID 138018139

IUPAC3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1nocc1S(=O)(=O)NCc1ocnc1C
InChIInChI=1S/C9H11N3O4S/c1-6-8(15-5-10-6)3-11-17(13,14)9-4-16-12-7(9)2/h4-5,11H,3H2,1-2H3
InChIKeyUZOVNVROAJNDDB-UHFFFAOYSA-N
MW257.27 g/mol
LogP0.76
Rot. Bonds4

About 3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1,2-oxazole-4-sulfonamide

3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 138018139) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1,2-oxazole-4-sulfonamide
PubChem CID138018139
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Name3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1nocc1S(=O)(=O)NCc1ocnc1C
InChIInChI=1S/C9H11N3O4S/c1-6-8(15-5-10-6)3-11-17(13,14)9-4-16-12-7(9)2/h4-5,11H,3H2,1-2H3
InChIKeyUZOVNVROAJNDDB-UHFFFAOYSA-N
XLogP0.76
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1,2-oxazole-4-sulfonamide (CID 138018139) is 3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1,2-oxazole-4-sulfonamide is Cc1nocc1S(=O)(=O)NCc1ocnc1C.
What is the InChIKey of 3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is UZOVNVROAJNDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4S/c1-6-8(15-5-10-6)3-11-17(13,14)9-4-16-12-7(9)2/h4-5,11H,3H2,1-2H3.
What are the key properties of 3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1,2-oxazole-4-sulfonamide?
3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 257.27 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 138018139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).