3-[[5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-yl]methyl]-1H-pyrimidine-2,4-dione

C13H13N3O3 — CID 144729047

IUPAC3-[[5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESC=Cc1onc(Cn2c(=O)cc[nH]c2=O)c1/C=C\C
InChIInChI=1S/C13H13N3O3/c1-3-5-9-10(15-19-11(9)4-2)8-16-12(17)6-7-14-13(16)18/h3-7H,2,8H2,1H3,(H,14,18)/b5-3-
InChIKeyRUMLXCKLVQYVBG-HYXAFXHYSA-N
MW259.27 g/mol
LogP1.25
Rot. Bonds4

About 3-[[5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-yl]methyl]-1H-pyrimidine-2,4-dione

3-[[5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 144729047) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-[[5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID144729047
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name3-[[5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESC=Cc1onc(Cn2c(=O)cc[nH]c2=O)c1/C=C\C
InChIInChI=1S/C13H13N3O3/c1-3-5-9-10(15-19-11(9)4-2)8-16-12(17)6-7-14-13(16)18/h3-7H,2,8H2,1H3,(H,14,18)/b5-3-
InChIKeyRUMLXCKLVQYVBG-HYXAFXHYSA-N
XLogP1.25
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[[5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-yl]methyl]-1H-pyrimidine-2,4-dione (CID 144729047) is 3-[[5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[[5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[[5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-yl]methyl]-1H-pyrimidine-2,4-dione is C=Cc1onc(Cn2c(=O)cc[nH]c2=O)c1/C=C\C.
What is the InChIKey of 3-[[5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is RUMLXCKLVQYVBG-HYXAFXHYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-3-5-9-10(15-19-11(9)4-2)8-16-12(17)6-7-14-13(16)18/h3-7H,2,8H2,1H3,(H,14,18)/b5-3-.
What are the key properties of 3-[[5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-yl]methyl]-1H-pyrimidine-2,4-dione?
3-[[5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 259.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 144729047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).