2-(4-fluorophenyl)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide

C14H15FN2O4S — CID 71982392

IUPAC2-(4-fluorophenyl)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide
SMILESCC(C)(C(=O)NS(=O)(=O)Cc1ccon1)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O4S/c1-14(2,10-3-5-11(15)6-4-10)13(18)17-22(19,20)9-12-7-8-21-16-12/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyAKUCOBGHLYXQAI-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.74
Rot. Bonds5

About 2-(4-fluorophenyl)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide

2-(4-fluorophenyl)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide (PubChem CID 71982392) has the molecular formula C14H15FN2O4S and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide
PubChem CID71982392
Molecular FormulaC14H15FN2O4S
Molecular Weight326.35 g/mol
Exact Mass326.07
IUPAC Name2-(4-fluorophenyl)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide
SMILESCC(C)(C(=O)NS(=O)(=O)Cc1ccon1)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O4S/c1-14(2,10-3-5-11(15)6-4-10)13(18)17-22(19,20)9-12-7-8-21-16-12/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyAKUCOBGHLYXQAI-UHFFFAOYSA-N
XLogP1.74
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide?
The IUPAC name of 2-(4-fluorophenyl)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide (CID 71982392) is 2-(4-fluorophenyl)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide is CC(C)(C(=O)NS(=O)(=O)Cc1ccon1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide?
The InChIKey is AKUCOBGHLYXQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4S/c1-14(2,10-3-5-11(15)6-4-10)13(18)17-22(19,20)9-12-7-8-21-16-12/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide?
2-(4-fluorophenyl)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide has a molecular weight of 326.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide is sourced from PubChem (CID 71982392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).