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

C13H14FN3O4S — CID 5047239

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-fluorophenyl)acetamide
SMILESCc1noc(C)c1S(=O)(=O)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H14FN3O4S/c1-8-13(9(2)21-17-8)22(19,20)15-7-12(18)16-11-5-3-10(14)4-6-11/h3-6,15H,7H2,1-2H3,(H,16,18)
InChIKeyGXJVMHJFAJDTRV-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.35
Rot. Bonds5

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 5047239) has the molecular formula C13H14FN3O4S and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-fluorophenyl)acetamide
PubChem CID5047239
Molecular FormulaC13H14FN3O4S
Molecular Weight327.34 g/mol
Exact Mass327.07
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-fluorophenyl)acetamide
SMILESCc1noc(C)c1S(=O)(=O)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H14FN3O4S/c1-8-13(9(2)21-17-8)22(19,20)15-7-12(18)16-11-5-3-10(14)4-6-11/h3-6,15H,7H2,1-2H3,(H,16,18)
InChIKeyGXJVMHJFAJDTRV-UHFFFAOYSA-N
XLogP1.35
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-fluorophenyl)acetamide (CID 5047239) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-fluorophenyl)acetamide is Cc1noc(C)c1S(=O)(=O)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is GXJVMHJFAJDTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O4S/c1-8-13(9(2)21-17-8)22(19,20)15-7-12(18)16-11-5-3-10(14)4-6-11/h3-6,15H,7H2,1-2H3,(H,16,18).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-fluorophenyl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 327.34 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 5047239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).