2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

C20H19FN2O2S — CID 27371432

IUPAC2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)c(C)c1
InChIInChI=1S/C20H19FN2O2S/c1-12-8-13(2)19(14(3)9-12)23-18(24)11-26-20-22-10-17(25-20)15-4-6-16(21)7-5-15/h4-10H,11H2,1-3H3,(H,23,24)
InChIKeyQFWQDKKAFUKHCW-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.14
Rot. Bonds5

About 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 27371432) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID27371432
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)c(C)c1
InChIInChI=1S/C20H19FN2O2S/c1-12-8-13(2)19(14(3)9-12)23-18(24)11-26-20-22-10-17(25-20)15-4-6-16(21)7-5-15/h4-10H,11H2,1-3H3,(H,23,24)
InChIKeyQFWQDKKAFUKHCW-UHFFFAOYSA-N
XLogP5.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide (CID 27371432) is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)c(C)c1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is QFWQDKKAFUKHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-12-8-13(2)19(14(3)9-12)23-18(24)11-26-20-22-10-17(25-20)15-4-6-16(21)7-5-15/h4-10H,11H2,1-3H3,(H,23,24).
What are the key properties of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 370.45 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 27371432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).