1-(5-methyl-1,2-oxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)methanesulfonamide

C8H11F3N2O4S — CID 113240013

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NCC(O)C(F)(F)F)no1
InChIInChI=1S/C8H11F3N2O4S/c1-5-2-6(13-17-5)4-18(15,16)12-3-7(14)8(9,10)11/h2,7,12,14H,3-4H2,1H3
InChIKeyWKFJAINTWDHSFI-UHFFFAOYSA-N
MW288.25 g/mol
LogP0.33
Rot. Bonds5

About 1-(5-methyl-1,2-oxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)methanesulfonamide

1-(5-methyl-1,2-oxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)methanesulfonamide (PubChem CID 113240013) has the molecular formula C8H11F3N2O4S and a molecular weight of 288.25 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)methanesulfonamide
PubChem CID113240013
Molecular FormulaC8H11F3N2O4S
Molecular Weight288.25 g/mol
Exact Mass288.04
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NCC(O)C(F)(F)F)no1
InChIInChI=1S/C8H11F3N2O4S/c1-5-2-6(13-17-5)4-18(15,16)12-3-7(14)8(9,10)11/h2,7,12,14H,3-4H2,1H3
InChIKeyWKFJAINTWDHSFI-UHFFFAOYSA-N
XLogP0.33
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)methanesulfonamide?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)methanesulfonamide (CID 113240013) is 1-(5-methyl-1,2-oxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)methanesulfonamide.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)methanesulfonamide?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)methanesulfonamide is Cc1cc(CS(=O)(=O)NCC(O)C(F)(F)F)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)methanesulfonamide?
The InChIKey is WKFJAINTWDHSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O4S/c1-5-2-6(13-17-5)4-18(15,16)12-3-7(14)8(9,10)11/h2,7,12,14H,3-4H2,1H3.
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)methanesulfonamide?
1-(5-methyl-1,2-oxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)methanesulfonamide has a molecular weight of 288.25 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)methanesulfonamide is sourced from PubChem (CID 113240013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).