3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide

C13H18N2O4S — CID 92648175

IUPAC3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
SMILESCCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C13H18N2O4S/c1-4-5-9(2)14-20(17,18)10-6-7-11-12(8-10)19-13(16)15(11)3/h6-9,14H,4-5H2,1-3H3/t9-/m1/s1
InChIKeySQZHFZMPHFKDKY-SECBINFHSA-N
MW298.36 g/mol
LogP1.60
Rot. Bonds5

About 3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide

3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide (PubChem CID 92648175) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
PubChem CID92648175
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
SMILESCCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C13H18N2O4S/c1-4-5-9(2)14-20(17,18)10-6-7-11-12(8-10)19-13(16)15(11)3/h6-9,14H,4-5H2,1-3H3/t9-/m1/s1
InChIKeySQZHFZMPHFKDKY-SECBINFHSA-N
XLogP1.60
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648280
N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648198
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid
CID 43245029
N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 119983081
3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzothiazole-6-sulfonamide
CID 100718837
N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 119983080
N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63731478
3-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,3-benzoxazole-5-sulfonamide
CID 146025056
N-(2-aminobutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63730962
3-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 110347522
N-[1-(2,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55558604

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide (CID 92648175) is 3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide is CCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of 3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide?
The InChIKey is SQZHFZMPHFKDKY-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-4-5-9(2)14-20(17,18)10-6-7-11-12(8-10)19-13(16)15(11)3/h6-9,14H,4-5H2,1-3H3/t9-/m1/s1.
What are the key properties of 3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide?
3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide has a molecular weight of 298.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 92648175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).