5-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one

C8H8ClN3O3 — CID 114582199

IUPAC5-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cnc(Cl)cc2=O)O1
InChIInChI=1S/C8H8ClN3O3/c9-6-1-7(13)12(4-11-6)3-5-2-10-8(14)15-5/h1,4-5H,2-3H2,(H,10,14)
InChIKeyLOBWPDYGPABIHI-UHFFFAOYSA-N
MW229.62 g/mol
LogP0.01
Rot. Bonds2

About 5-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one

5-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 114582199) has the molecular formula C8H8ClN3O3 and a molecular weight of 229.62 g/mol. Its IUPAC name is 5-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID114582199
Molecular FormulaC8H8ClN3O3
Molecular Weight229.62 g/mol
Exact Mass229.03
IUPAC Name5-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cnc(Cl)cc2=O)O1
InChIInChI=1S/C8H8ClN3O3/c9-6-1-7(13)12(4-11-6)3-5-2-10-8(14)15-5/h1,4-5H,2-3H2,(H,10,14)
InChIKeyLOBWPDYGPABIHI-UHFFFAOYSA-N
XLogP0.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one (CID 114582199) is 5-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cn2cnc(Cl)cc2=O)O1.
What is the InChIKey of 5-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is LOBWPDYGPABIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O3/c9-6-1-7(13)12(4-11-6)3-5-2-10-8(14)15-5/h1,4-5H,2-3H2,(H,10,14).
What are the key properties of 5-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
5-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 229.62 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 114582199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).