N-methyl-1-(1,2-oxazol-3-yl)-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide

C8H9F5N2O3S — CID 71997615

IUPACN-methyl-1-(1,2-oxazol-3-yl)-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide
SMILESCN(CC(F)(F)C(F)(F)F)S(=O)(=O)Cc1ccon1
InChIInChI=1S/C8H9F5N2O3S/c1-15(5-7(9,10)8(11,12)13)19(16,17)4-6-2-3-18-14-6/h2-3H,4-5H2,1H3
InChIKeyYHLFZJPGOLHKDU-UHFFFAOYSA-N
MW308.23 g/mol
LogP1.63
Rot. Bonds5

About N-methyl-1-(1,2-oxazol-3-yl)-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide

N-methyl-1-(1,2-oxazol-3-yl)-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide (PubChem CID 71997615) has the molecular formula C8H9F5N2O3S and a molecular weight of 308.23 g/mol. Its IUPAC name is N-methyl-1-(1,2-oxazol-3-yl)-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-(1,2-oxazol-3-yl)-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide
PubChem CID71997615
Molecular FormulaC8H9F5N2O3S
Molecular Weight308.23 g/mol
Exact Mass308.03
IUPAC NameN-methyl-1-(1,2-oxazol-3-yl)-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide
SMILESCN(CC(F)(F)C(F)(F)F)S(=O)(=O)Cc1ccon1
InChIInChI=1S/C8H9F5N2O3S/c1-15(5-7(9,10)8(11,12)13)19(16,17)4-6-2-3-18-14-6/h2-3H,4-5H2,1H3
InChIKeyYHLFZJPGOLHKDU-UHFFFAOYSA-N
XLogP1.63
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,2-oxazol-3-yl)-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide?
The IUPAC name of N-methyl-1-(1,2-oxazol-3-yl)-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide (CID 71997615) is N-methyl-1-(1,2-oxazol-3-yl)-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide.
What is the SMILES notation for N-methyl-1-(1,2-oxazol-3-yl)-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide?
The canonical SMILES for N-methyl-1-(1,2-oxazol-3-yl)-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide is CN(CC(F)(F)C(F)(F)F)S(=O)(=O)Cc1ccon1.
What is the InChIKey of N-methyl-1-(1,2-oxazol-3-yl)-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide?
The InChIKey is YHLFZJPGOLHKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F5N2O3S/c1-15(5-7(9,10)8(11,12)13)19(16,17)4-6-2-3-18-14-6/h2-3H,4-5H2,1H3.
What are the key properties of N-methyl-1-(1,2-oxazol-3-yl)-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide?
N-methyl-1-(1,2-oxazol-3-yl)-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide has a molecular weight of 308.23 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,2-oxazol-3-yl)-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide is sourced from PubChem (CID 71997615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).