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

C8H7ClIN3O3 — CID 114583922

IUPAC5-[(4-chloro-5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cnc(Cl)c(I)c2=O)O1
InChIInChI=1S/C8H7ClIN3O3/c9-6-5(10)7(14)13(3-12-6)2-4-1-11-8(15)16-4/h3-4H,1-2H2,(H,11,15)
InChIKeyADBGTFPXWSJBBJ-UHFFFAOYSA-N
MW355.52 g/mol
LogP0.61
Rot. Bonds2

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

5-[(4-chloro-5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 114583922) has the molecular formula C8H7ClIN3O3 and a molecular weight of 355.52 g/mol. Its IUPAC name is 5-[(4-chloro-5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-chloro-5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID114583922
Molecular FormulaC8H7ClIN3O3
Molecular Weight355.52 g/mol
Exact Mass354.92
IUPAC Name5-[(4-chloro-5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cnc(Cl)c(I)c2=O)O1
InChIInChI=1S/C8H7ClIN3O3/c9-6-5(10)7(14)13(3-12-6)2-4-1-11-8(15)16-4/h3-4H,1-2H2,(H,11,15)
InChIKeyADBGTFPXWSJBBJ-UHFFFAOYSA-N
XLogP0.61
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-chloro-5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one (CID 114583922) is 5-[(4-chloro-5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-chloro-5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-chloro-5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cn2cnc(Cl)c(I)c2=O)O1.
What is the InChIKey of 5-[(4-chloro-5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is ADBGTFPXWSJBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClIN3O3/c9-6-5(10)7(14)13(3-12-6)2-4-1-11-8(15)16-4/h3-4H,1-2H2,(H,11,15).
What are the key properties of 5-[(4-chloro-5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
5-[(4-chloro-5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 355.52 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 114583922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).