[(3R)-2-oxooxolan-3-yl] 3-phenothiazin-10-ylpropanoate

C19H17NO4S — CID 2366322

IUPAC[(3R)-2-oxooxolan-3-yl] 3-phenothiazin-10-ylpropanoate
SMILESO=C(CCN1c2ccccc2Sc2ccccc21)O[C@@H]1CCOC1=O
InChIInChI=1S/C19H17NO4S/c21-18(24-15-10-12-23-19(15)22)9-11-20-13-5-1-3-7-16(13)25-17-8-4-2-6-14(17)20/h1-8,15H,9-12H2/t15-/m1/s1
InChIKeyOOPKHFPTZLNXBQ-OAHLLOKOSA-N
MW355.41 g/mol
LogP3.54
Rot. Bonds4

About [(3R)-2-oxooxolan-3-yl] 3-phenothiazin-10-ylpropanoate

[(3R)-2-oxooxolan-3-yl] 3-phenothiazin-10-ylpropanoate (PubChem CID 2366322) has the molecular formula C19H17NO4S and a molecular weight of 355.41 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 3-phenothiazin-10-ylpropanoate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 3-phenothiazin-10-ylpropanoate
PubChem CID2366322
Molecular FormulaC19H17NO4S
Molecular Weight355.41 g/mol
Exact Mass355.09
IUPAC Name[(3R)-2-oxooxolan-3-yl] 3-phenothiazin-10-ylpropanoate
SMILESO=C(CCN1c2ccccc2Sc2ccccc21)O[C@@H]1CCOC1=O
InChIInChI=1S/C19H17NO4S/c21-18(24-15-10-12-23-19(15)22)9-11-20-13-5-1-3-7-16(13)25-17-8-4-2-6-14(17)20/h1-8,15H,9-12H2/t15-/m1/s1
InChIKeyOOPKHFPTZLNXBQ-OAHLLOKOSA-N
XLogP3.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 3-phenothiazin-10-ylpropanoate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 3-phenothiazin-10-ylpropanoate (CID 2366322) is [(3R)-2-oxooxolan-3-yl] 3-phenothiazin-10-ylpropanoate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 3-phenothiazin-10-ylpropanoate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 3-phenothiazin-10-ylpropanoate is O=C(CCN1c2ccccc2Sc2ccccc21)O[C@@H]1CCOC1=O.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 3-phenothiazin-10-ylpropanoate?
The InChIKey is OOPKHFPTZLNXBQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17NO4S/c21-18(24-15-10-12-23-19(15)22)9-11-20-13-5-1-3-7-16(13)25-17-8-4-2-6-14(17)20/h1-8,15H,9-12H2/t15-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 3-phenothiazin-10-ylpropanoate?
[(3R)-2-oxooxolan-3-yl] 3-phenothiazin-10-ylpropanoate has a molecular weight of 355.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 3-phenothiazin-10-ylpropanoate is sourced from PubChem (CID 2366322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).