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

C20H21ClN6O3 — CID 130273066

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

3-[2-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 130273066) has the molecular formula C20H21ClN6O3 and a molecular weight of 428.88 g/mol. Its IUPAC name is 3-[2-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 130273066
• Molecular Formula: C20H21ClN6O3
• Molecular Weight: 428.88 g/mol
• Exact Mass: 428.14
• IUPAC Name: 3-[2-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: CC(Nc1nccc(N2C(=O)OCC2C(C)C)n1)c1nc(-c2ccccc2Cl)no1
• InChI: InChI=1S/C20H21ClN6O3/c1-11(2)15-10-29-20(28)27(15)16-8-9-22-19(24-16)23-12(3)18-25-17(26-30-18)13-6-4-5-7-14(13)21/h4-9,11-12,15H,10H2,1-3H3,(H,22,23,24)
• InChIKey: JHJVPUJOBOLPSF-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 106.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.88
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[2-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 130273066) is 3-[2-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

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

The canonical SMILES for 3-[2-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OCC2C(C)C)n1)c1nc(-c2ccccc2Cl)no1.

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

The InChIKey is JHJVPUJOBOLPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O3/c1-11(2)15-10-29-20(28)27(15)16-8-9-22-19(24-16)23-12(3)18-25-17(26-30-18)13-6-4-5-7-14(13)21/h4-9,11-12,15H,10H2,1-3H3,(H,22,23,24).

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

3-[2-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 428.88 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 130273066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).