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

C13H13FN2O2S — CID 9423321

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESCc1nc(SCC(=O)Nc2ccc(F)cc2)oc1C
InChIInChI=1S/C13H13FN2O2S/c1-8-9(2)18-13(15-8)19-7-12(17)16-11-5-3-10(14)4-6-11/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeySQOIGLRQLOBNGL-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.16
Rot. Bonds4

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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (PubChem CID 9423321) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
PubChem CID9423321
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESCc1nc(SCC(=O)Nc2ccc(F)cc2)oc1C
InChIInChI=1S/C13H13FN2O2S/c1-8-9(2)18-13(15-8)19-7-12(17)16-11-5-3-10(14)4-6-11/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeySQOIGLRQLOBNGL-UHFFFAOYSA-N
XLogP3.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (CID 9423321) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is Cc1nc(SCC(=O)Nc2ccc(F)cc2)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is SQOIGLRQLOBNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-8-9(2)18-13(15-8)19-7-12(17)16-11-5-3-10(14)4-6-11/h3-6H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 280.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9423321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).