(5R)-5-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-(2-methoxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one

C32H40N2O5 — CID 58102392

IUPAC(5R)-5-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-(2-methoxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
SMILESCOC(C)(C)Cn1ccc(-c2ccc([C@H](C)N3C[C@@H](CC(C)(C)O)C(c4ccccc4)OC3=O)cc2)cc1=O
InChIInChI=1S/C32H40N2O5/c1-22(34-20-27(19-31(2,3)37)29(39-30(34)36)25-10-8-7-9-11-25)23-12-14-24(15-13-23)26-16-17-33(28(35)18-26)21-32(4,5)38-6/h7-18,22,27,29,37H,19-21H2,1-6H3/t22-,27+,29?/m0/s1
InChIKeyGBAPYUVNIRULCH-ZKJGBGOKSA-N
MW532.68 g/mol
LogP5.97
Rot. Bonds9

About (5R)-5-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-(2-methoxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one

(5R)-5-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-(2-methoxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one (PubChem CID 58102392) has the molecular formula C32H40N2O5 and a molecular weight of 532.68 g/mol. Its IUPAC name is (5R)-5-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-(2-methoxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(5R)-5-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-(2-methoxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
PubChem CID58102392
Molecular FormulaC32H40N2O5
Molecular Weight532.68 g/mol
Exact Mass532.29
IUPAC Name(5R)-5-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-(2-methoxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
SMILESCOC(C)(C)Cn1ccc(-c2ccc([C@H](C)N3C[C@@H](CC(C)(C)O)C(c4ccccc4)OC3=O)cc2)cc1=O
InChIInChI=1S/C32H40N2O5/c1-22(34-20-27(19-31(2,3)37)29(39-30(34)36)25-10-8-7-9-11-25)23-12-14-24(15-13-23)26-16-17-33(28(35)18-26)21-32(4,5)38-6/h7-18,22,27,29,37H,19-21H2,1-6H3/t22-,27+,29?/m0/s1
InChIKeyGBAPYUVNIRULCH-ZKJGBGOKSA-N
XLogP5.97
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.68
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-5-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-(2-methoxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one with MolForge

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Launch Full Analysis

Related Compounds

benzene;3-[1-[4-(1-ethyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
CID 143755797
6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[1-(3-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-1,3-oxazinan-2-one
CID 143887169
3-[1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
CID 143887173
(6S)-3-[(1S)-1-[4-[1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
CID 59635746
fluorobenzene;6-(2-hydroxy-2-methylpropyl)-3-[1-[4-(1-hydroxy-2-methylpyridin-1-ium-4-yl)phenyl]ethyl]-1,3-oxazinan-2-one
CID 143755356
3-[1-[4-(1-ethyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
CID 143887165
benzene;3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
CID 143755585
2,2-dimethyl-3-[(6R)-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-2-oxo-1,3-oxazinan-6-yl]propanenitrile
CID 143755433
3-[1-[4-(1-ethyl-5-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
CID 143755412
(6R)-6-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 70833697
6-(2-hydroxy-2-methylpropyl)-3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-propan-2-yl-1,3-oxazinan-2-one
CID 75032497
4-(2-hydroxy-2-methylpropyl)-1-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-4-phenyl-1,3-diazepan-2-one
CID 68549854

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-(2-methoxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of (5R)-5-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-(2-methoxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one (CID 58102392) is (5R)-5-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-(2-methoxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for (5R)-5-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-(2-methoxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for (5R)-5-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-(2-methoxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one is COC(C)(C)Cn1ccc(-c2ccc([C@H](C)N3C[C@@H](CC(C)(C)O)C(c4ccccc4)OC3=O)cc2)cc1=O.
What is the InChIKey of (5R)-5-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-(2-methoxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is GBAPYUVNIRULCH-ZKJGBGOKSA-N. The full InChI is InChI=1S/C32H40N2O5/c1-22(34-20-27(19-31(2,3)37)29(39-30(34)36)25-10-8-7-9-11-25)23-12-14-24(15-13-23)26-16-17-33(28(35)18-26)21-32(4,5)38-6/h7-18,22,27,29,37H,19-21H2,1-6H3/t22-,27+,29?/m0/s1.
What are the key properties of (5R)-5-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-(2-methoxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
(5R)-5-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-(2-methoxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one has a molecular weight of 532.68 g/mol, XLogP of 5.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-(2-methoxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 58102392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).