3-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C17H15ClN6O3 — CID 89489922

About 3-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

3-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 89489922) has the molecular formula C17H15ClN6O3 and a molecular weight of 386.80 g/mol. Its IUPAC name is 3-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
• PubChem CID: 89489922
• Molecular Formula: C17H15ClN6O3
• Molecular Weight: 386.80 g/mol
• Exact Mass: 386.09
• IUPAC Name: 3-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
• SMILES: CC(Nc1nccc(N2CCOC2=O)n1)c1noc(-c2ccc(Cl)cc2)n1
• InChI: InChI=1S/C17H15ClN6O3/c1-10(14-22-15(27-23-14)11-2-4-12(18)5-3-11)20-16-19-7-6-13(21-16)24-8-9-26-17(24)25/h2-7,10H,8-9H2,1H3,(H,19,20,21)
• InChIKey: QTJLTOCUFQQBGG-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 106.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.80
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 89489922) is 3-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(Nc1nccc(N2CCOC2=O)n1)c1noc(-c2ccc(Cl)cc2)n1.

What is the InChIKey of 3-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

The InChIKey is QTJLTOCUFQQBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O3/c1-10(14-22-15(27-23-14)11-2-4-12(18)5-3-11)20-16-19-7-6-13(21-16)24-8-9-26-17(24)25/h2-7,10H,8-9H2,1H3,(H,19,20,21).

What are the key properties of 3-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

3-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 386.80 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).