3-[2-oxo-2-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one

C23H24N6O4 — CID 90491427

About 3-[2-oxo-2-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one

3-[2-oxo-2-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one (PubChem CID 90491427) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is 3-[2-oxo-2-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

• Compound Name: 3-[2-oxo-2-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
• PubChem CID: 90491427
• Molecular Formula: C23H24N6O4
• Molecular Weight: 448.48 g/mol
• Exact Mass: 448.19
• IUPAC Name: 3-[2-oxo-2-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
• SMILES: CC(C)c1nc(-c2ccc(N3CCN(C(=O)Cn4c(=O)oc5ccccc54)CC3)nc2)no1
• InChI: InChI=1S/C23H24N6O4/c1-15(2)22-25-21(26-33-22)16-7-8-19(24-13-16)27-9-11-28(12-10-27)20(30)14-29-17-5-3-4-6-18(17)32-23(29)31/h3-8,13,15H,9-12,14H2,1-2H3
• InChIKey: IAEHETRDJRFOQY-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 110.50 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.48
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one?

The IUPAC name of 3-[2-oxo-2-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one (CID 90491427) is 3-[2-oxo-2-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one.

What is the SMILES notation for 3-[2-oxo-2-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one?

The canonical SMILES for 3-[2-oxo-2-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one is CC(C)c1nc(-c2ccc(N3CCN(C(=O)Cn4c(=O)oc5ccccc54)CC3)nc2)no1.

What is the InChIKey of 3-[2-oxo-2-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one?

The InChIKey is IAEHETRDJRFOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-15(2)22-25-21(26-33-22)16-7-8-19(24-13-16)27-9-11-28(12-10-27)20(30)14-29-17-5-3-4-6-18(17)32-23(29)31/h3-8,13,15H,9-12,14H2,1-2H3.

What are the key properties of 3-[2-oxo-2-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one?

3-[2-oxo-2-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one has a molecular weight of 448.48 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-oxo-2-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 90491427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).