N-tert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C9H16N2O3S — CID 6619403

IUPACN-tert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H16N2O3S/c1-6-8(7(2)14-10-6)15(12,13)11-9(3,4)5/h11H,1-5H3
InChIKeyVSYAUMYMKQZWAF-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.37
Rot. Bonds2

About N-tert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-tert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 6619403) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-tert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID6619403
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-tert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H16N2O3S/c1-6-8(7(2)14-10-6)15(12,13)11-9(3,4)5/h11H,1-5H3
InChIKeyVSYAUMYMKQZWAF-UHFFFAOYSA-N
XLogP1.37
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-tert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 6619403) is N-tert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-tert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-tert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is VSYAUMYMKQZWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-6-8(7(2)14-10-6)15(12,13)11-9(3,4)5/h11H,1-5H3.
What are the key properties of N-tert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-tert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 232.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 6619403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).