N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide

C15H17FN2O5S — CID 102559038

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C15H17FN2O5S/c1-4-12(22-13-8-6-5-7-11(13)16)15(19)18-24(20,21)14-9(2)17-23-10(14)3/h5-8,12H,4H2,1-3H3,(H,18,19)
InChIKeyVHDGMCTYCOYDCO-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.09
Rot. Bonds6

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide (PubChem CID 102559038) has the molecular formula C15H17FN2O5S and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide
PubChem CID102559038
Molecular FormulaC15H17FN2O5S
Molecular Weight356.38 g/mol
Exact Mass356.08
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C15H17FN2O5S/c1-4-12(22-13-8-6-5-7-11(13)16)15(19)18-24(20,21)14-9(2)17-23-10(14)3/h5-8,12H,4H2,1-3H3,(H,18,19)
InChIKeyVHDGMCTYCOYDCO-UHFFFAOYSA-N
XLogP2.09
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide (CID 102559038) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide is CCC(Oc1ccccc1F)C(=O)NS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide?
The InChIKey is VHDGMCTYCOYDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O5S/c1-4-12(22-13-8-6-5-7-11(13)16)15(19)18-24(20,21)14-9(2)17-23-10(14)3/h5-8,12H,4H2,1-3H3,(H,18,19).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide has a molecular weight of 356.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 102559038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).