1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one

C18H15NO2S — CID 700702

IUPAC1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one
SMILESCC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C18H15NO2S/c1-13(20)12-22-18-19-16(14-8-4-2-5-9-14)17(21-18)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeySQOFVHPBOAQZCT-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.69
Rot. Bonds5

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

1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one (PubChem CID 700702) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one.

Molecular Properties

Compound Name1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one
PubChem CID700702
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one
SMILESCC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C18H15NO2S/c1-13(20)12-22-18-19-16(14-8-4-2-5-9-14)17(21-18)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeySQOFVHPBOAQZCT-UHFFFAOYSA-N
XLogP4.69
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one?
The IUPAC name of 1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one (CID 700702) is 1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one.
What is the SMILES notation for 1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one?
The canonical SMILES for 1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one is CC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one?
The InChIKey is SQOFVHPBOAQZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-13(20)12-22-18-19-16(14-8-4-2-5-9-14)17(21-18)15-10-6-3-7-11-15/h2-11H,12H2,1H3.
What are the key properties of 1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one?
1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one has a molecular weight of 309.39 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one is sourced from PubChem (CID 700702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).