1-[(2R,5S)-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]pyrimidine-2,4-dione

C16H16N2O5 — CID 70373655

IUPAC1-[(2R,5S)-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)C(O)[C@@H]1CC[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C16H16N2O5/c19-12-8-9-18(16(22)17-12)13-7-6-11(23-13)15(21)14(20)10-4-2-1-3-5-10/h1-5,8-9,11,13,15,21H,6-7H2,(H,17,19,22)/t11-,13+,15?/m0/s1
InChIKeyXMWILLIDCOKTKC-OZDYYWIQSA-N
MW316.31 g/mol
LogP0.46
Rot. Bonds4

About 1-[(2R,5S)-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,5S)-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 70373655) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 1-[(2R,5S)-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5S)-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID70373655
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name1-[(2R,5S)-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)C(O)[C@@H]1CC[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C16H16N2O5/c19-12-8-9-18(16(22)17-12)13-7-6-11(23-13)15(21)14(20)10-4-2-1-3-5-10/h1-5,8-9,11,13,15,21H,6-7H2,(H,17,19,22)/t11-,13+,15?/m0/s1
InChIKeyXMWILLIDCOKTKC-OZDYYWIQSA-N
XLogP0.46
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2R,5S)-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 23268762
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol
CID 169252397
1-[(2R,5R)-4-fluoro-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 67647949
1-[(2R,3R,4R,5R)-4-benzoyl-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 22981520
[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl benzoate
CID 14260321
[2-[(E)-2-dimethoxyphosphorylethenyl]-6-(2,4-dioxopyrimidin-1-yl)oxan-3-yl] benzoate
CID 138530228
1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 23261037
[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methyl benzoate
CID 96884537
1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082493
[(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium
CID 142554941
N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide
CID 10735166

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5S)-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 70373655) is 1-[(2R,5S)-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5S)-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5S)-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]pyrimidine-2,4-dione is O=C(c1ccccc1)C(O)[C@@H]1CC[C@H](n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of 1-[(2R,5S)-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is XMWILLIDCOKTKC-OZDYYWIQSA-N. The full InChI is InChI=1S/C16H16N2O5/c19-12-8-9-18(16(22)17-12)13-7-6-11(23-13)15(21)14(20)10-4-2-1-3-5-10/h1-5,8-9,11,13,15,21H,6-7H2,(H,17,19,22)/t11-,13+,15?/m0/s1.
What are the key properties of 1-[(2R,5S)-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,5S)-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 316.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 70373655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).