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

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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).