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

C15H17FN2O5S — CID 99813979

IUPAC(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide
SMILESCC[C@@H](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)/t12-/m1/s1
InChIKeyVHDGMCTYCOYDCO-GFCCVEGCSA-N
MW356.38 g/mol
LogP2.09
Rot. Bonds6

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

(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide (PubChem CID 99813979) has the molecular formula C15H17FN2O5S and a molecular weight of 356.38 g/mol. Its IUPAC name is (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide
PubChem CID99813979
Molecular FormulaC15H17FN2O5S
Molecular Weight356.38 g/mol
Exact Mass356.08
IUPAC Name(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide
SMILESCC[C@@H](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)/t12-/m1/s1
InChIKeyVHDGMCTYCOYDCO-GFCCVEGCSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide?
The IUPAC name of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide (CID 99813979) is (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide.
What is the SMILES notation for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide?
The canonical SMILES for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide is CC[C@@H](Oc1ccccc1F)C(=O)NS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide?
The InChIKey is VHDGMCTYCOYDCO-GFCCVEGCSA-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)/t12-/m1/s1.
What are the key properties of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide?
(2R)-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 (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 99813979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).