3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one

C7H5ClFN3O2 — CID 86730264

IUPAC3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1nc(Cl)ncc1F
InChIInChI=1S/C7H5ClFN3O2/c8-6-10-3-4(9)5(11-6)12-1-2-14-7(12)13/h3H,1-2H2
InChIKeyTVHRDYCNZAAOHN-UHFFFAOYSA-N
MW217.59 g/mol
LogP1.23
Rot. Bonds1

About 3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one

3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one (PubChem CID 86730264) has the molecular formula C7H5ClFN3O2 and a molecular weight of 217.59 g/mol. Its IUPAC name is 3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one
PubChem CID86730264
Molecular FormulaC7H5ClFN3O2
Molecular Weight217.59 g/mol
Exact Mass217.01
IUPAC Name3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1nc(Cl)ncc1F
InChIInChI=1S/C7H5ClFN3O2/c8-6-10-3-4(9)5(11-6)12-1-2-14-7(12)13/h3H,1-2H2
InChIKeyTVHRDYCNZAAOHN-UHFFFAOYSA-N
XLogP1.23
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.59
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-bromo-2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one
CID 132608321
5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one
CID 172581443
3-[5-fluoro-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285211
3-(2-chloroquinazolin-7-yl)-1,3-oxazolidin-2-one
CID 162747859
2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine
CID 79081860
2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine
CID 53393355
4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine
CID 79081430
3-[5-fluoro-2-[4-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 172581466
6-(2-chloro-5-fluoropyrimidin-4-yl)-6-azaspiro[3.4]octan-8-one
CID 172608383
(2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine
CID 26368895
3-(4,6-difluoro-2-pyridinyl)-1,3-oxazolidin-2-one
CID 118956075
2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane
CID 143330280

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one (CID 86730264) is 3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one is O=C1OCCN1c1nc(Cl)ncc1F.
What is the InChIKey of 3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is TVHRDYCNZAAOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFN3O2/c8-6-10-3-4(9)5(11-6)12-1-2-14-7(12)13/h3H,1-2H2.
What are the key properties of 3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one?
3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 217.59 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 86730264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).