N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide

C13H15FN2O3S — CID 56785635

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide
SMILESCc1nc(CNS(=O)(=O)Cc2cccc(F)c2)oc1C
InChIInChI=1S/C13H15FN2O3S/c1-9-10(2)19-13(16-9)7-15-20(17,18)8-11-4-3-5-12(14)6-11/h3-6,15H,7-8H2,1-2H3
InChIKeyPJVFFXKHOXREQI-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.05
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide (PubChem CID 56785635) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide
PubChem CID56785635
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide
SMILESCc1nc(CNS(=O)(=O)Cc2cccc(F)c2)oc1C
InChIInChI=1S/C13H15FN2O3S/c1-9-10(2)19-13(16-9)7-15-20(17,18)8-11-4-3-5-12(14)6-11/h3-6,15H,7-8H2,1-2H3
InChIKeyPJVFFXKHOXREQI-UHFFFAOYSA-N
XLogP2.05
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide (CID 56785635) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide is Cc1nc(CNS(=O)(=O)Cc2cccc(F)c2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide?
The InChIKey is PJVFFXKHOXREQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-9-10(2)19-13(16-9)7-15-20(17,18)8-11-4-3-5-12(14)6-11/h3-6,15H,7-8H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 56785635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).