1-[3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]pyrimidine-2,4-dione

C13H17N3O5 — CID 10661520

IUPAC1-[3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]pyrimidine-2,4-dione
SMILESO=c1ccn(C2CC(COC3CCCCO3)=NO2)c(=O)[nH]1
InChIInChI=1S/C13H17N3O5/c17-10-4-5-16(13(18)14-10)11-7-9(15-21-11)8-20-12-3-1-2-6-19-12/h4-5,11-12H,1-3,6-8H2,(H,14,17,18)
InChIKeyVHILOSXEFSHKKX-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.35
Rot. Bonds4

About 1-[3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]pyrimidine-2,4-dione

1-[3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]pyrimidine-2,4-dione (PubChem CID 10661520) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-[3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]pyrimidine-2,4-dione
PubChem CID10661520
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-[3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]pyrimidine-2,4-dione
SMILESO=c1ccn(C2CC(COC3CCCCO3)=NO2)c(=O)[nH]1
InChIInChI=1S/C13H17N3O5/c17-10-4-5-16(13(18)14-10)11-7-9(15-21-11)8-20-12-3-1-2-6-19-12/h4-5,11-12H,1-3,6-8H2,(H,14,17,18)
InChIKeyVHILOSXEFSHKKX-UHFFFAOYSA-N
XLogP0.35
TPSA94.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
CID 22855921
1-[(2R,3R,5S)-3-[(2S)-oxan-2-yl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 124581828
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)-2-(oxan-2-yloxymethyl)oxolan-3-yl] naphthalen-1-yl hydrogen phosphate
CID 70423813
1-[(2R,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
CID 15172860
4-bromo-5-(oxan-2-yloxymethyl)-1H-pyrazole
CID 139312696
1-[6-(oxan-2-yloxy)hexanoyl]-2-sulfanylidenepyrimidin-4-one
CID 166950090
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
6-(oxan-2-yloxymethyl)-1H-furo[2,3-d]pyrimidin-2-one
CID 141036139
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
[3-[1-(2,4-dioxopyrimidin-1-yl)ethoxy]-2,4-bis(oxan-2-yloxy)butyl] trifluoromethanesulfonate
CID 89266315
1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10105161
2-[(4-bromo-2-ethylphenyl)methoxy]oxane
CID 86762394

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]pyrimidine-2,4-dione (CID 10661520) is 1-[3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]pyrimidine-2,4-dione is O=c1ccn(C2CC(COC3CCCCO3)=NO2)c(=O)[nH]1.
What is the InChIKey of 1-[3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]pyrimidine-2,4-dione?
The InChIKey is VHILOSXEFSHKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-10-4-5-16(13(18)14-10)11-7-9(15-21-11)8-20-12-3-1-2-6-19-12/h4-5,11-12H,1-3,6-8H2,(H,14,17,18).
What are the key properties of 1-[3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]pyrimidine-2,4-dione?
1-[3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]pyrimidine-2,4-dione has a molecular weight of 295.30 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 10661520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).