2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C22H18N4O2S — CID 1036944

IUPAC2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)no1
InChIInChI=1S/C22H18N4O2S/c1-15-12-20(26-28-15)25-21(27)14-29-22-23-18(16-8-4-2-5-9-16)13-19(24-22)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,25,26,27)
InChIKeyQEEUKXKXSCLAPM-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.84
Rot. Bonds6

About 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 1036944) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID1036944
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)no1
InChIInChI=1S/C22H18N4O2S/c1-15-12-20(26-28-15)25-21(27)14-29-22-23-18(16-8-4-2-5-9-16)13-19(24-22)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,25,26,27)
InChIKeyQEEUKXKXSCLAPM-UHFFFAOYSA-N
XLogP4.84
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 1036944) is 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)no1.
What is the InChIKey of 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is QEEUKXKXSCLAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-15-12-20(26-28-15)25-21(27)14-29-22-23-18(16-8-4-2-5-9-16)13-19(24-22)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,25,26,27).
What are the key properties of 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 402.48 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 1036944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).