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

C15H13FN4O2S — CID 3238529

IUPAC2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nccn2-c2ccc(F)cc2)no1
InChIInChI=1S/C15H13FN4O2S/c1-10-8-13(19-22-10)18-14(21)9-23-15-17-6-7-20(15)12-4-2-11(16)3-5-12/h2-8H,9H2,1H3,(H,18,19,21)
InChIKeyOYNYADQXKWIPLC-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.04
Rot. Bonds5

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

2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 3238529) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID3238529
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nccn2-c2ccc(F)cc2)no1
InChIInChI=1S/C15H13FN4O2S/c1-10-8-13(19-22-10)18-14(21)9-23-15-17-6-7-20(15)12-4-2-11(16)3-5-12/h2-8H,9H2,1H3,(H,18,19,21)
InChIKeyOYNYADQXKWIPLC-UHFFFAOYSA-N
XLogP3.04
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 3238529) is 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nccn2-c2ccc(F)cc2)no1.
What is the InChIKey of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is OYNYADQXKWIPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c1-10-8-13(19-22-10)18-14(21)9-23-15-17-6-7-20(15)12-4-2-11(16)3-5-12/h2-8H,9H2,1H3,(H,18,19,21).
What are the key properties of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 332.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3238529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).