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

C25H34N2O4 — CID 75032497

IUPAC6-(2-hydroxy-2-methylpropyl)-3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-propan-2-yl-1,3-oxazinan-2-one
SMILESCC(c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CCC(CC(C)(C)O)(C(C)C)OC1=O
InChIInChI=1S/C25H34N2O4/c1-17(2)25(16-24(4,5)30)12-14-27(23(29)31-25)18(3)19-7-9-20(10-8-19)21-11-13-26(6)22(28)15-21/h7-11,13,15,17-18,30H,12,14,16H2,1-6H3
InChIKeyFEQAOIMIVXHADA-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.51
Rot. Bonds6

About 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

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 (PubChem CID 75032497) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(2-hydroxy-2-methylpropyl)-3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-propan-2-yl-1,3-oxazinan-2-one
PubChem CID75032497
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name6-(2-hydroxy-2-methylpropyl)-3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-propan-2-yl-1,3-oxazinan-2-one
SMILESCC(c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CCC(CC(C)(C)O)(C(C)C)OC1=O
InChIInChI=1S/C25H34N2O4/c1-17(2)25(16-24(4,5)30)12-14-27(23(29)31-25)18(3)19-7-9-20(10-8-19)21-11-13-26(6)22(28)15-21/h7-11,13,15,17-18,30H,12,14,16H2,1-6H3
InChIKeyFEQAOIMIVXHADA-UHFFFAOYSA-N
XLogP4.51
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(1-methylbenzimidazol-5-yl)phenyl]ethyl]-6-propan-2-yl-1,3-oxazinan-2-one
CID 45101359
6-(2,3-dihydroxy-2-methylpropyl)-3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(4-methylphenyl)-1,3-oxazinan-2-one
CID 91546477
(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
3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
CID 67995838
(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;(1-methyl-2-oxo-4-pyridinyl)boronic acid
CID 157101362
4-bromo-1-methylpyridin-2-one;(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(2-hydroxy-2-methylpropyl)-6-propan-2-yl-1,3-oxazinan-2-one;(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-[(2-methyloxiran-2-yl)methyl]-6-propan-2-yl-1,3-oxazinan-2-one;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(2-methylprop-2-enyl)-6-propan-2-yl-1,3-oxazinan-2-one;(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(2-methylprop-2-enyl)-6-propan-2-yl-1,3-oxazinan-2-one;dichloromethane;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-propan-2-yl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-6-propan-2-yl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 160870607
(3R,5R)-3-hydroxy-8-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-oxa-8-azaspiro[4.5]decan-7-one
CID 67995868
2,2-dimethyl-3-[(6R)-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanenitrile;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;(6R)-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-methylprop-2-enyl)-6-phenyl-1,3-oxazinan-2-one
CID 169423980
(5R)-5-cyclohexa-1,5-dien-1-yl-5-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-1,3-oxazolidin-2-one
CID 70970308
(6R)-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-methylprop-2-enyl)-6-phenyl-1,3-oxazinan-2-one
CID 58102364
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
6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(1-methylbenzimidazol-5-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 66856543

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CCC(CC(C)(C)O)(C(C)C)OC1=O.
What is the InChIKey of 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?
The InChIKey is FEQAOIMIVXHADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-17(2)25(16-24(4,5)30)12-14-27(23(29)31-25)18(3)19-7-9-20(10-8-19)21-11-13-26(6)22(28)15-21/h7-11,13,15,17-18,30H,12,14,16H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 426.56 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 75032497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).