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

C11H13ClFN3O2 — CID 89489701

IUPAC3-(2-chloro-5-fluoropyrimidin-4-yl)-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(c2nc(Cl)ncc2F)C1(C)C
InChIInChI=1S/C11H13ClFN3O2/c1-10(2)11(3,4)18-9(17)16(10)7-6(13)5-14-8(12)15-7/h5H,1-4H3
InChIKeyUDBUYOQNYIPAOQ-UHFFFAOYSA-N
MW273.69 g/mol
LogP2.78
Rot. Bonds1

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

3-(2-chloro-5-fluoropyrimidin-4-yl)-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one (PubChem CID 89489701) has the molecular formula C11H13ClFN3O2 and a molecular weight of 273.69 g/mol. Its IUPAC name is 3-(2-chloro-5-fluoropyrimidin-4-yl)-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-chloro-5-fluoropyrimidin-4-yl)-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one
PubChem CID89489701
Molecular FormulaC11H13ClFN3O2
Molecular Weight273.69 g/mol
Exact Mass273.07
IUPAC Name3-(2-chloro-5-fluoropyrimidin-4-yl)-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(c2nc(Cl)ncc2F)C1(C)C
InChIInChI=1S/C11H13ClFN3O2/c1-10(2)11(3,4)18-9(17)16(10)7-6(13)5-14-8(12)15-7/h5H,1-4H3
InChIKeyUDBUYOQNYIPAOQ-UHFFFAOYSA-N
XLogP2.78
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 52.78
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)-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-chloro-5-fluoropyrimidin-4-yl)-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one (CID 89489701) is 3-(2-chloro-5-fluoropyrimidin-4-yl)-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-chloro-5-fluoropyrimidin-4-yl)-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-chloro-5-fluoropyrimidin-4-yl)-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(c2nc(Cl)ncc2F)C1(C)C.
What is the InChIKey of 3-(2-chloro-5-fluoropyrimidin-4-yl)-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one?
The InChIKey is UDBUYOQNYIPAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3O2/c1-10(2)11(3,4)18-9(17)16(10)7-6(13)5-14-8(12)15-7/h5H,1-4H3.
What are the key properties of 3-(2-chloro-5-fluoropyrimidin-4-yl)-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one?
3-(2-chloro-5-fluoropyrimidin-4-yl)-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one has a molecular weight of 273.69 g/mol, XLogP of 2.78, 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)-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).