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

C24H21F2NO3 — CID 25182276

IUPAC(6S)-3-[3-(2,4-difluorophenyl)phenyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one
SMILESO=C1O[C@@](CCO)(c2ccccc2)CCN1c1cccc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C24H21F2NO3/c25-19-9-10-21(22(26)16-19)17-5-4-8-20(15-17)27-13-11-24(12-14-28,30-23(27)29)18-6-2-1-3-7-18/h1-10,15-16,28H,11-14H2/t24-/m0/s1
InChIKeyBRCSKQYCZLOWED-DEOSSOPVSA-N
MW409.43 g/mol
LogP5.26
Rot. Bonds5

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

(6S)-3-[3-(2,4-difluorophenyl)phenyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one (PubChem CID 25182276) has the molecular formula C24H21F2NO3 and a molecular weight of 409.43 g/mol. Its IUPAC name is (6S)-3-[3-(2,4-difluorophenyl)phenyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6S)-3-[3-(2,4-difluorophenyl)phenyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one
PubChem CID25182276
Molecular FormulaC24H21F2NO3
Molecular Weight409.43 g/mol
Exact Mass409.15
IUPAC Name(6S)-3-[3-(2,4-difluorophenyl)phenyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one
SMILESO=C1O[C@@](CCO)(c2ccccc2)CCN1c1cccc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C24H21F2NO3/c25-19-9-10-21(22(26)16-19)17-5-4-8-20(15-17)27-13-11-24(12-14-28,30-23(27)29)18-6-2-1-3-7-18/h1-10,15-16,28H,11-14H2/t24-/m0/s1
InChIKeyBRCSKQYCZLOWED-DEOSSOPVSA-N
XLogP5.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.43
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-[3-(2,4-difluorophenyl)phenyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of (6S)-3-[3-(2,4-difluorophenyl)phenyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one (CID 25182276) is (6S)-3-[3-(2,4-difluorophenyl)phenyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6S)-3-[3-(2,4-difluorophenyl)phenyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for (6S)-3-[3-(2,4-difluorophenyl)phenyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one is O=C1O[C@@](CCO)(c2ccccc2)CCN1c1cccc(-c2ccc(F)cc2F)c1.
What is the InChIKey of (6S)-3-[3-(2,4-difluorophenyl)phenyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is BRCSKQYCZLOWED-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21F2NO3/c25-19-9-10-21(22(26)16-19)17-5-4-8-20(15-17)27-13-11-24(12-14-28,30-23(27)29)18-6-2-1-3-7-18/h1-10,15-16,28H,11-14H2/t24-/m0/s1.
What are the key properties of (6S)-3-[3-(2,4-difluorophenyl)phenyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one?
(6S)-3-[3-(2,4-difluorophenyl)phenyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one has a molecular weight of 409.43 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-[3-(2,4-difluorophenyl)phenyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 25182276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).