2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide

C18H16N2O2S — CID 2409321

IUPAC2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide
SMILESCNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C18H16N2O2S/c1-19-15(21)12-23-18-20-16(13-8-4-2-5-9-13)17(22-18)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,19,21)
InChIKeyADJMEULNUKDYSL-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.85
Rot. Bonds5

About 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide

2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide (PubChem CID 2409321) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide
PubChem CID2409321
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide
SMILESCNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C18H16N2O2S/c1-19-15(21)12-23-18-20-16(13-8-4-2-5-9-13)17(22-18)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,19,21)
InChIKeyADJMEULNUKDYSL-UHFFFAOYSA-N
XLogP3.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide?
The IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide (CID 2409321) is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide?
The canonical SMILES for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide is CNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide?
The InChIKey is ADJMEULNUKDYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-19-15(21)12-23-18-20-16(13-8-4-2-5-9-13)17(22-18)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,19,21).
What are the key properties of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide?
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide has a molecular weight of 324.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide is sourced from PubChem (CID 2409321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).