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

C11H16N4O4S — CID 131917750

IUPAC3,5-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1noc(C(C)C)n1
InChIInChI=1S/C11H16N4O4S/c1-6(2)11-13-9(15-19-11)5-12-20(16,17)10-7(3)14-18-8(10)4/h6,12H,5H2,1-4H3
InChIKeyAMOIFIUGOBQNQL-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.28
Rot. Bonds5

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

3,5-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 131917750) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide
PubChem CID131917750
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name3,5-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1noc(C(C)C)n1
InChIInChI=1S/C11H16N4O4S/c1-6(2)11-13-9(15-19-11)5-12-20(16,17)10-7(3)14-18-8(10)4/h6,12H,5H2,1-4H3
InChIKeyAMOIFIUGOBQNQL-UHFFFAOYSA-N
XLogP1.28
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,5-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47359122
N-(3-ethyl-2-hydroxypentyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103835124
3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 72718132
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide
CID 61131991
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 79027700
N-[(2R)-1-aminopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 104873362
N-(2-amino-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119988108
N-(2-hydroxy-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 65113388
3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 54897462

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide (CID 131917750) is 3,5-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCc1noc(C(C)C)n1.
What is the InChIKey of 3,5-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is AMOIFIUGOBQNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-6(2)11-13-9(15-19-11)5-12-20(16,17)10-7(3)14-18-8(10)4/h6,12H,5H2,1-4H3.
What are the key properties of 3,5-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 300.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 131917750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).