5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methoxybenzenesulfonamide

C13H14N2O4S — CID 122187170

IUPAC5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2cnc(C3CC3)o2)cc1S(N)(=O)=O
InChIInChI=1S/C13H14N2O4S/c1-18-10-5-4-9(6-12(10)20(14,16)17)11-7-15-13(19-11)8-2-3-8/h4-8H,2-3H2,1H3,(H2,14,16,17)
InChIKeyFESZAJORNPRUGH-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.88
Rot. Bonds4

About 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methoxybenzenesulfonamide

5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methoxybenzenesulfonamide (PubChem CID 122187170) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methoxybenzenesulfonamide
PubChem CID122187170
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2cnc(C3CC3)o2)cc1S(N)(=O)=O
InChIInChI=1S/C13H14N2O4S/c1-18-10-5-4-9(6-12(10)20(14,16)17)11-7-15-13(19-11)8-2-3-8/h4-8H,2-3H2,1H3,(H2,14,16,17)
InChIKeyFESZAJORNPRUGH-UHFFFAOYSA-N
XLogP1.88
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methoxybenzenesulfonamide (CID 122187170) is 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methoxybenzenesulfonamide is COc1ccc(-c2cnc(C3CC3)o2)cc1S(N)(=O)=O.
What is the InChIKey of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methoxybenzenesulfonamide?
The InChIKey is FESZAJORNPRUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-18-10-5-4-9(6-12(10)20(14,16)17)11-7-15-13(19-11)8-2-3-8/h4-8H,2-3H2,1H3,(H2,14,16,17).
What are the key properties of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methoxybenzenesulfonamide?
5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methoxybenzenesulfonamide has a molecular weight of 294.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 122187170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).