5-(2-cyclobutyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide

C14H16N2O3S — CID 122187168

IUPAC5-(2-cyclobutyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2cnc(C3CCC3)o2)cc1S(N)(=O)=O
InChIInChI=1S/C14H16N2O3S/c1-9-5-6-11(7-13(9)20(15,17)18)12-8-16-14(19-12)10-3-2-4-10/h5-8,10H,2-4H2,1H3,(H2,15,17,18)
InChIKeyBRRDJFXMUYHUPY-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.56
Rot. Bonds3

About 5-(2-cyclobutyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide

5-(2-cyclobutyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide (PubChem CID 122187168) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-(2-cyclobutyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(2-cyclobutyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
PubChem CID122187168
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name5-(2-cyclobutyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2cnc(C3CCC3)o2)cc1S(N)(=O)=O
InChIInChI=1S/C14H16N2O3S/c1-9-5-6-11(7-13(9)20(15,17)18)12-8-16-14(19-12)10-3-2-4-10/h5-8,10H,2-4H2,1H3,(H2,15,17,18)
InChIKeyBRRDJFXMUYHUPY-UHFFFAOYSA-N
XLogP2.56
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide (CID 122187168) is 5-(2-cyclobutyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(2-cyclobutyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(2-cyclobutyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide is Cc1ccc(-c2cnc(C3CCC3)o2)cc1S(N)(=O)=O.
What is the InChIKey of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide?
The InChIKey is BRRDJFXMUYHUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9-5-6-11(7-13(9)20(15,17)18)12-8-16-14(19-12)10-3-2-4-10/h5-8,10H,2-4H2,1H3,(H2,15,17,18).
What are the key properties of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide?
5-(2-cyclobutyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclobutyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 122187168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).