1-(3-fluorophenyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]methanesulfonamide

C13H15FN2O3S — CID 71789767

IUPAC1-(3-fluorophenyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]methanesulfonamide
SMILESCc1cc(CCNS(=O)(=O)Cc2cccc(F)c2)on1
InChIInChI=1S/C13H15FN2O3S/c1-10-7-13(19-16-10)5-6-15-20(17,18)9-11-3-2-4-12(14)8-11/h2-4,7-8,15H,5-6,9H2,1H3
InChIKeyWWXULNRKRMLLFA-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.78
Rot. Bonds6

About 1-(3-fluorophenyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]methanesulfonamide

1-(3-fluorophenyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]methanesulfonamide (PubChem CID 71789767) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]methanesulfonamide
PubChem CID71789767
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name1-(3-fluorophenyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]methanesulfonamide
SMILESCc1cc(CCNS(=O)(=O)Cc2cccc(F)c2)on1
InChIInChI=1S/C13H15FN2O3S/c1-10-7-13(19-16-10)5-6-15-20(17,18)9-11-3-2-4-12(14)8-11/h2-4,7-8,15H,5-6,9H2,1H3
InChIKeyWWXULNRKRMLLFA-UHFFFAOYSA-N
XLogP1.78
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]methanesulfonamide (CID 71789767) is 1-(3-fluorophenyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]methanesulfonamide is Cc1cc(CCNS(=O)(=O)Cc2cccc(F)c2)on1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]methanesulfonamide?
The InChIKey is WWXULNRKRMLLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-10-7-13(19-16-10)5-6-15-20(17,18)9-11-3-2-4-12(14)8-11/h2-4,7-8,15H,5-6,9H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]methanesulfonamide?
1-(3-fluorophenyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]methanesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 71789767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).