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

C18H17NO2S — CID 4520430

IUPAC1-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)sulfanyl]propan-2-one
SMILESCC(=O)CSC1=NC(c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C18H17NO2S/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/h2-11,16-17H,12H2,1H3
InChIKeyCZFWCNPLZZLWED-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.18
Rot. Bonds4

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

1-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)sulfanyl]propan-2-one (PubChem CID 4520430) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)sulfanyl]propan-2-one.

Molecular Properties

Compound Name1-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)sulfanyl]propan-2-one
PubChem CID4520430
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name1-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)sulfanyl]propan-2-one
SMILESCC(=O)CSC1=NC(c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C18H17NO2S/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/h2-11,16-17H,12H2,1H3
InChIKeyCZFWCNPLZZLWED-UHFFFAOYSA-N
XLogP4.18
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.18
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-4,5-dihydro-1,3-oxazol-2-yl)sulfanyl]propan-2-one?
The IUPAC name of 1-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)sulfanyl]propan-2-one (CID 4520430) is 1-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)sulfanyl]propan-2-one.
What is the SMILES notation for 1-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)sulfanyl]propan-2-one?
The canonical SMILES for 1-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)sulfanyl]propan-2-one is CC(=O)CSC1=NC(c2ccccc2)C(c2ccccc2)O1.
What is the InChIKey of 1-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)sulfanyl]propan-2-one?
The InChIKey is CZFWCNPLZZLWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/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/h2-11,16-17H,12H2,1H3.
What are the key properties of 1-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)sulfanyl]propan-2-one?
1-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)sulfanyl]propan-2-one has a molecular weight of 311.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)sulfanyl]propan-2-one is sourced from PubChem (CID 4520430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).