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

C23H21FN2O3 — CID 25181886

IUPAC3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one
SMILESO=C1OC(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
InChIKeyQZFTYROSXIMEHP-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.51
Rot. Bonds5

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

3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one (PubChem CID 25181886) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one
PubChem CID25181886
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one
SMILESO=C1OC(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
InChIKeyQZFTYROSXIMEHP-UHFFFAOYSA-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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Related Compounds

(S)-3-((S)-1-(4-(2,6-dimethylpyridin-4-yl)phenyl)ethyl)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
CID 58109729
US8592410, Comparator 4
CID 59635627
US8592410, Comparator 2
CID 59635702
[6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methyl acetate
CID 9802905
1-(2,6-Difluorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea
CID 9843199
[6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methyl carbamate
CID 9910762
[6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)-3-pyridinyl]methyl N-(2-phosphonooxyethyl)carbamate
CID 10119668
[2-(2,4-difluorophenyl)-6-(N-[(E)-dimethylaminomethylidenecarbamoyl]-2,6-difluoroanilino)-3-pyridinyl]methyl (NE)-N-(dimethylaminomethylidene)carbamate
CID 10119812
[6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methyl (NE)-N-(aminomethylidene)carbamate
CID 10139513
[6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)-3-pyridinyl]methyl (NE)-N-(dimethylaminomethylidene)carbamate
CID 10140124
[6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methyl N-(diaminomethylidene)carbamate
CID 10140408
2-[[6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)-3-pyridinyl]methoxycarbonylamino]ethyl 2-aminoacetate
CID 10142611

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of 3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one (CID 25181886) is 3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one is O=C1OC(CCO)(c2ccccc2)CCN1c1cccc(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is QZFTYROSXIMEHP-UHFFFAOYSA-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.
What are the key properties of 3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one?
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 3-[6-(4-fluorophenyl)-2-pyridinyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 25181886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).