5-[(6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one

C8H9N3O3 — CID 116622763

IUPAC5-[(6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cnccc2=O)O1
InChIInChI=1S/C8H9N3O3/c12-7-1-2-9-5-11(7)4-6-3-10-8(13)14-6/h1-2,5-6H,3-4H2,(H,10,13)
InChIKeyRCWILABDARFUGR-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.65
Rot. Bonds2

About 5-[(6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one

5-[(6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 116622763) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 5-[(6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID116622763
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name5-[(6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cnccc2=O)O1
InChIInChI=1S/C8H9N3O3/c12-7-1-2-9-5-11(7)4-6-3-10-8(13)14-6/h1-2,5-6H,3-4H2,(H,10,13)
InChIKeyRCWILABDARFUGR-UHFFFAOYSA-N
XLogP-0.65
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one (CID 116622763) is 5-[(6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cn2cnccc2=O)O1.
What is the InChIKey of 5-[(6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is RCWILABDARFUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c12-7-1-2-9-5-11(7)4-6-3-10-8(13)14-6/h1-2,5-6H,3-4H2,(H,10,13).
What are the key properties of 5-[(6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
5-[(6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 195.18 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 116622763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).