4-phenyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one

C23H22N2O2 — CID 151702427

IUPAC4-phenyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one
SMILESC[C@@H](c1ccc(-c2cccnc2)cc1)N1C(=O)OCCC1c1ccccc1
InChIInChI=1S/C23H22N2O2/c1-17(18-9-11-19(12-10-18)21-8-5-14-24-16-21)25-22(13-15-27-23(25)26)20-6-3-2-4-7-20/h2-12,14,16-17,22H,13,15H2,1H3/t17-,22?/m0/s1
InChIKeyREWUADXYMOQMAJ-LBOXEOMUSA-N
MW358.44 g/mol
LogP5.39
Rot. Bonds4

About 4-phenyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one

4-phenyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one (PubChem CID 151702427) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-phenyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-phenyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one
PubChem CID151702427
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name4-phenyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one
SMILESC[C@@H](c1ccc(-c2cccnc2)cc1)N1C(=O)OCCC1c1ccccc1
InChIInChI=1S/C23H22N2O2/c1-17(18-9-11-19(12-10-18)21-8-5-14-24-16-21)25-22(13-15-27-23(25)26)20-6-3-2-4-7-20/h2-12,14,16-17,22H,13,15H2,1H3/t17-,22?/m0/s1
InChIKeyREWUADXYMOQMAJ-LBOXEOMUSA-N
XLogP5.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 52943482
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CID 52950138
CID 52950138
CID 66554933
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CID 44428365
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CID 56682377
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CID 90665144
CID 90665144

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one?
The IUPAC name of 4-phenyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one (CID 151702427) is 4-phenyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 4-phenyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 4-phenyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one is C[C@@H](c1ccc(-c2cccnc2)cc1)N1C(=O)OCCC1c1ccccc1.
What is the InChIKey of 4-phenyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one?
The InChIKey is REWUADXYMOQMAJ-LBOXEOMUSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17(18-9-11-19(12-10-18)21-8-5-14-24-16-21)25-22(13-15-27-23(25)26)20-6-3-2-4-7-20/h2-12,14,16-17,22H,13,15H2,1H3/t17-,22?/m0/s1.
What are the key properties of 4-phenyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one?
4-phenyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one has a molecular weight of 358.44 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 151702427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).