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

C23H19F3N2O3 — CID 59635702

IUPAC3-[6-(2,4-difluorophenyl)-2-pyridinyl]-6-(2-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
SMILESO=C1OC(CCO)(c2ccccc2F)CCN1c1cccc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C23H19F3N2O3/c24-15-8-9-16(19(26)14-15)20-6-3-7-21(27-20)28-12-10-23(11-13-29,31-22(28)30)17-4-1-2-5-18(17)25/h1-9,14,29H,10-13H2
InChIKeyZZNUHDXNMHQWAV-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.79
Rot. Bonds5

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

3-[6-(2,4-difluorophenyl)-2-pyridinyl]-6-(2-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one (PubChem CID 59635702) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is 3-[6-(2,4-difluorophenyl)-2-pyridinyl]-6-(2-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[6-(2,4-difluorophenyl)-2-pyridinyl]-6-(2-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
PubChem CID59635702
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name3-[6-(2,4-difluorophenyl)-2-pyridinyl]-6-(2-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
SMILESO=C1OC(CCO)(c2ccccc2F)CCN1c1cccc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C23H19F3N2O3/c24-15-8-9-16(19(26)14-15)20-6-3-7-21(27-20)28-12-10-23(11-13-29,31-22(28)30)17-4-1-2-5-18(17)25/h1-9,14,29H,10-13H2
InChIKeyZZNUHDXNMHQWAV-UHFFFAOYSA-N
XLogP4.79
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,4-difluorophenyl)-2-pyridinyl]-6-(2-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-[6-(2,4-difluorophenyl)-2-pyridinyl]-6-(2-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one (CID 59635702) is 3-[6-(2,4-difluorophenyl)-2-pyridinyl]-6-(2-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[6-(2,4-difluorophenyl)-2-pyridinyl]-6-(2-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-[6-(2,4-difluorophenyl)-2-pyridinyl]-6-(2-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one is O=C1OC(CCO)(c2ccccc2F)CCN1c1cccc(-c2ccc(F)cc2F)n1.
What is the InChIKey of 3-[6-(2,4-difluorophenyl)-2-pyridinyl]-6-(2-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one?
The InChIKey is ZZNUHDXNMHQWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c24-15-8-9-16(19(26)14-15)20-6-3-7-21(27-20)28-12-10-23(11-13-29,31-22(28)30)17-4-1-2-5-18(17)25/h1-9,14,29H,10-13H2.
What are the key properties of 3-[6-(2,4-difluorophenyl)-2-pyridinyl]-6-(2-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one?
3-[6-(2,4-difluorophenyl)-2-pyridinyl]-6-(2-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one has a molecular weight of 428.41 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,4-difluorophenyl)-2-pyridinyl]-6-(2-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 59635702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).