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

C9H9ClFN3O2 — CID 89478990

IUPAC3-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)CN(c2nc(Cl)ncc2F)C(=O)O1
InChIInChI=1S/C9H9ClFN3O2/c1-9(2)4-14(8(15)16-9)6-5(11)3-12-7(10)13-6/h3H,4H2,1-2H3
InChIKeyFJKBYGGOTYJXKF-UHFFFAOYSA-N
MW245.64 g/mol
LogP2.00
Rot. Bonds1

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

3-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 89478990) has the molecular formula C9H9ClFN3O2 and a molecular weight of 245.64 g/mol. Its IUPAC name is 3-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID89478990
Molecular FormulaC9H9ClFN3O2
Molecular Weight245.64 g/mol
Exact Mass245.04
IUPAC Name3-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)CN(c2nc(Cl)ncc2F)C(=O)O1
InChIInChI=1S/C9H9ClFN3O2/c1-9(2)4-14(8(15)16-9)6-5(11)3-12-7(10)13-6/h3H,4H2,1-2H3
InChIKeyFJKBYGGOTYJXKF-UHFFFAOYSA-N
XLogP2.00
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.64
LogP ≤ 52.00
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)-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-1,3-oxazolidin-2-one (CID 89478990) is 3-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-1,3-oxazolidin-2-one is CC1(C)CN(c2nc(Cl)ncc2F)C(=O)O1.
What is the InChIKey of 3-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is FJKBYGGOTYJXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN3O2/c1-9(2)4-14(8(15)16-9)6-5(11)3-12-7(10)13-6/h3H,4H2,1-2H3.
What are the key properties of 3-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-1,3-oxazolidin-2-one?
3-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 245.64 g/mol, XLogP of 2.00, 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)-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89478990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).