[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(2-fluorophenyl)-2,5-dihydrofuran-2-yl]methyl acetate

C17H15FN2O5 — CID 16728576

IUPAC[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(2-fluorophenyl)-2,5-dihydrofuran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C=C1c1ccccc1F
InChIInChI=1S/C17H15FN2O5/c1-10(21)24-9-14-12(11-4-2-3-5-13(11)18)8-16(25-14)20-7-6-15(22)19-17(20)23/h2-8,14,16H,9H2,1H3,(H,19,22,23)/t14-,16-/m1/s1
InChIKeyBZQYNFYRMVDVLA-GDBMZVCRSA-N
MW346.31 g/mol
LogP1.22
Rot. Bonds4

About [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(2-fluorophenyl)-2,5-dihydrofuran-2-yl]methyl acetate

[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(2-fluorophenyl)-2,5-dihydrofuran-2-yl]methyl acetate (PubChem CID 16728576) has the molecular formula C17H15FN2O5 and a molecular weight of 346.31 g/mol. Its IUPAC name is [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(2-fluorophenyl)-2,5-dihydrofuran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(2-fluorophenyl)-2,5-dihydrofuran-2-yl]methyl acetate
PubChem CID16728576
Molecular FormulaC17H15FN2O5
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(2-fluorophenyl)-2,5-dihydrofuran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C=C1c1ccccc1F
InChIInChI=1S/C17H15FN2O5/c1-10(21)24-9-14-12(11-4-2-3-5-13(11)18)8-16(25-14)20-7-6-15(22)19-17(20)23/h2-8,14,16H,9H2,1H3,(H,19,22,23)/t14-,16-/m1/s1
InChIKeyBZQYNFYRMVDVLA-GDBMZVCRSA-N
XLogP1.22
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(2-fluorophenyl)-2,5-dihydrofuran-2-yl]methyl acetate?
The IUPAC name of [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(2-fluorophenyl)-2,5-dihydrofuran-2-yl]methyl acetate (CID 16728576) is [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(2-fluorophenyl)-2,5-dihydrofuran-2-yl]methyl acetate.
What is the SMILES notation for [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(2-fluorophenyl)-2,5-dihydrofuran-2-yl]methyl acetate?
The canonical SMILES for [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(2-fluorophenyl)-2,5-dihydrofuran-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C=C1c1ccccc1F.
What is the InChIKey of [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(2-fluorophenyl)-2,5-dihydrofuran-2-yl]methyl acetate?
The InChIKey is BZQYNFYRMVDVLA-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H15FN2O5/c1-10(21)24-9-14-12(11-4-2-3-5-13(11)18)8-16(25-14)20-7-6-15(22)19-17(20)23/h2-8,14,16H,9H2,1H3,(H,19,22,23)/t14-,16-/m1/s1.
What are the key properties of [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(2-fluorophenyl)-2,5-dihydrofuran-2-yl]methyl acetate?
[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(2-fluorophenyl)-2,5-dihydrofuran-2-yl]methyl acetate has a molecular weight of 346.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(2-fluorophenyl)-2,5-dihydrofuran-2-yl]methyl acetate is sourced from PubChem (CID 16728576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).