(6S)-3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one

C23H21FN2O3 — CID 59635627

IUPAC(6S)-3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one
SMILESO=C1O[C@@](CCO)(c2ccccc2)CCN1c1cccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H21FN2O3/c24-19-11-9-17(10-12-19)20-7-4-8-21(25-20)26-15-13-23(14-16-27,29-22(26)28)18-5-2-1-3-6-18/h1-12,27H,13-16H2/t23-/m0/s1
InChIKeyQZFTYROSXIMEHP-QHCPKHFHSA-N
MW392.43 g/mol
LogP4.51
Rot. Bonds5

About (6S)-3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one

(6S)-3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one (PubChem CID 59635627) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is (6S)-3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6S)-3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one
PubChem CID59635627
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name(6S)-3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one
SMILESO=C1O[C@@](CCO)(c2ccccc2)CCN1c1cccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H21FN2O3/c24-19-11-9-17(10-12-19)20-7-4-8-21(25-20)26-15-13-23(14-16-27,29-22(26)28)18-5-2-1-3-6-18/h1-12,27H,13-16H2/t23-/m0/s1
InChIKeyQZFTYROSXIMEHP-QHCPKHFHSA-N
XLogP4.51
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of (6S)-3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one (CID 59635627) is (6S)-3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6S)-3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for (6S)-3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one is O=C1O[C@@](CCO)(c2ccccc2)CCN1c1cccc(-c2ccc(F)cc2)n1.
What is the InChIKey of (6S)-3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is QZFTYROSXIMEHP-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H21FN2O3/c24-19-11-9-17(10-12-19)20-7-4-8-21(25-20)26-15-13-23(14-16-27,29-22(26)28)18-5-2-1-3-6-18/h1-12,27H,13-16H2/t23-/m0/s1.
What are the key properties of (6S)-3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one?
(6S)-3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one has a molecular weight of 392.43 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 59635627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).