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

C17H15FN4O2S — CID 51365055

IUPAC2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(SCC(=O)Nc2cc(C)on2)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C17H15FN4O2S/c1-10-6-16(21-17(19-10)12-4-3-5-13(18)8-12)25-9-15(23)20-14-7-11(2)24-22-14/h3-8H,9H2,1-2H3,(H,20,22,23)
InChIKeyQNITXQKUCLQBOM-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.62
Rot. Bonds5

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

2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 51365055) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID51365055
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC Name2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(SCC(=O)Nc2cc(C)on2)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C17H15FN4O2S/c1-10-6-16(21-17(19-10)12-4-3-5-13(18)8-12)25-9-15(23)20-14-7-11(2)24-22-14/h3-8H,9H2,1-2H3,(H,20,22,23)
InChIKeyQNITXQKUCLQBOM-UHFFFAOYSA-N
XLogP3.62
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 51365055) is 2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(SCC(=O)Nc2cc(C)on2)nc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is QNITXQKUCLQBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c1-10-6-16(21-17(19-10)12-4-3-5-13(18)8-12)25-9-15(23)20-14-7-11(2)24-22-14/h3-8H,9H2,1-2H3,(H,20,22,23).
What are the key properties of 2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 358.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 51365055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).