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

C7H6FN3O2 — CID 86730261

IUPAC3-(2-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccnc(F)n1
InChIInChI=1S/C7H6FN3O2/c8-6-9-2-1-5(10-6)11-3-4-13-7(11)12/h1-2H,3-4H2
InChIKeyDMBVRSPBXIJEIB-UHFFFAOYSA-N
MW183.14 g/mol
LogP0.57
Rot. Bonds1

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

3-(2-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one (PubChem CID 86730261) has the molecular formula C7H6FN3O2 and a molecular weight of 183.14 g/mol. Its IUPAC name is 3-(2-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one
PubChem CID86730261
Molecular FormulaC7H6FN3O2
Molecular Weight183.14 g/mol
Exact Mass183.04
IUPAC Name3-(2-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccnc(F)n1
InChIInChI=1S/C7H6FN3O2/c8-6-9-2-1-5(10-6)11-3-4-13-7(11)12/h1-2H,3-4H2
InChIKeyDMBVRSPBXIJEIB-UHFFFAOYSA-N
XLogP0.57
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.14
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one (CID 86730261) is 3-(2-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one is O=C1OCCN1c1ccnc(F)n1.
What is the InChIKey of 3-(2-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is DMBVRSPBXIJEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O2/c8-6-9-2-1-5(10-6)11-3-4-13-7(11)12/h1-2H,3-4H2.
What are the key properties of 3-(2-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one?
3-(2-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 183.14 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 86730261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).