1-[(3R,5S)-2-benzyl-3-naphthalen-1-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione

C25H23N3O3 — CID 78319332

IUPAC1-[(3R,5S)-2-benzyl-3-naphthalen-1-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2C[C@H](c3cccc4ccccc34)N(Cc3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C25H23N3O3/c1-17-15-27(25(30)26-24(17)29)23-14-22(28(31-23)16-18-8-3-2-4-9-18)21-13-7-11-19-10-5-6-12-20(19)21/h2-13,15,22-23H,14,16H2,1H3,(H,26,29,30)/t22-,23+/m1/s1
InChIKeyGTAUMGCTIWHTAO-PKTZIBPZSA-N
MW413.48 g/mol
LogP4.08
Rot. Bonds4

About 1-[(3R,5S)-2-benzyl-3-naphthalen-1-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione

1-[(3R,5S)-2-benzyl-3-naphthalen-1-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 78319332) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-[(3R,5S)-2-benzyl-3-naphthalen-1-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R,5S)-2-benzyl-3-naphthalen-1-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione
PubChem CID78319332
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name1-[(3R,5S)-2-benzyl-3-naphthalen-1-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2C[C@H](c3cccc4ccccc34)N(Cc3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C25H23N3O3/c1-17-15-27(25(30)26-24(17)29)23-14-22(28(31-23)16-18-8-3-2-4-9-18)21-13-7-11-19-10-5-6-12-20(19)21/h2-13,15,22-23H,14,16H2,1H3,(H,26,29,30)/t22-,23+/m1/s1
InChIKeyGTAUMGCTIWHTAO-PKTZIBPZSA-N
XLogP4.08
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3R,5S)-2-benzyl-3-naphthalen-1-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(3S,5R)-2-benzyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione
CID 102129284
5-methyl-1-[(3R,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]pyrimidine-2,4-dione
CID 52944921
methyl (2S)-2-[(3R,5S)-2-benzyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 10504693
5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 54768279
2-[(3R,5S)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-2-yl]ethyl acetate
CID 10637734
1-[(2R,4S,5R)-4-hydroxy-5-[(tritylamino)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 54327478
1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11037272
[(2S,4R,6S)-4-benzoyloxy-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl benzoate
CID 10412106
1-[(2R,4S,5R)-5-(1-hydrazinyl-3-phenylpropan-2-yl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 18658253
5-methyl-1-[(2R,5S)-5-(phenylsulfanyloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 142887795
1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 102285706
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5S)-2-benzyl-3-naphthalen-1-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(3R,5S)-2-benzyl-3-naphthalen-1-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione (CID 78319332) is 1-[(3R,5S)-2-benzyl-3-naphthalen-1-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R,5S)-2-benzyl-3-naphthalen-1-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R,5S)-2-benzyl-3-naphthalen-1-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2C[C@H](c3cccc4ccccc34)N(Cc3ccccc3)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(3R,5S)-2-benzyl-3-naphthalen-1-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is GTAUMGCTIWHTAO-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-17-15-27(25(30)26-24(17)29)23-14-22(28(31-23)16-18-8-3-2-4-9-18)21-13-7-11-19-10-5-6-12-20(19)21/h2-13,15,22-23H,14,16H2,1H3,(H,26,29,30)/t22-,23+/m1/s1.
What are the key properties of 1-[(3R,5S)-2-benzyl-3-naphthalen-1-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione?
1-[(3R,5S)-2-benzyl-3-naphthalen-1-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 413.48 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5S)-2-benzyl-3-naphthalen-1-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 78319332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).