N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide

C15H19FN2O3S — CID 110641282

IUPACN-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1nc(-c2ccccc2F)oc1C
InChIInChI=1S/C15H19FN2O3S/c1-3-10-22(19,20)17-9-8-14-11(2)21-15(18-14)12-6-4-5-7-13(12)16/h4-7,17H,3,8-10H2,1-2H3
InChIKeyNWZPTFYPKNFMNA-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.66
Rot. Bonds7

About N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide

N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide (PubChem CID 110641282) has the molecular formula C15H19FN2O3S and a molecular weight of 326.39 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide
PubChem CID110641282
Molecular FormulaC15H19FN2O3S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC NameN-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1nc(-c2ccccc2F)oc1C
InChIInChI=1S/C15H19FN2O3S/c1-3-10-22(19,20)17-9-8-14-11(2)21-15(18-14)12-6-4-5-7-13(12)16/h4-7,17H,3,8-10H2,1-2H3
InChIKeyNWZPTFYPKNFMNA-UHFFFAOYSA-N
XLogP2.66
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide (CID 110641282) is N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCc1nc(-c2ccccc2F)oc1C.
What is the InChIKey of N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide?
The InChIKey is NWZPTFYPKNFMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3S/c1-3-10-22(19,20)17-9-8-14-11(2)21-15(18-14)12-6-4-5-7-13(12)16/h4-7,17H,3,8-10H2,1-2H3.
What are the key properties of N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide?
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide has a molecular weight of 326.39 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 110641282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).