3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one

C17H21N5O3 — CID 57296286

About 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one

3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 57296286) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one
• PubChem CID: 57296286
• Molecular Formula: C17H21N5O3
• Molecular Weight: 343.39 g/mol
• Exact Mass: 343.16
• IUPAC Name: 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one
• SMILES: Cc1nc(-c2cccc(N3CC(CN4CCNCC4)OC3=O)c2)no1
• InChI: InChI=1S/C17H21N5O3/c1-12-19-16(20-25-12)13-3-2-4-14(9-13)22-11-15(24-17(22)23)10-21-7-5-18-6-8-21/h2-4,9,15,18H,5-8,10-11H2,1H3
• InChIKey: FQHBLUBUSLBSIE-UHFFFAOYSA-N
• XLogP: 1.28
• TPSA: 83.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.39
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one?

The IUPAC name of 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one (CID 57296286) is 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one is Cc1nc(-c2cccc(N3CC(CN4CCNCC4)OC3=O)c2)no1.

What is the InChIKey of 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one?

The InChIKey is FQHBLUBUSLBSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-12-19-16(20-25-12)13-3-2-4-14(9-13)22-11-15(24-17(22)23)10-21-7-5-18-6-8-21/h2-4,9,15,18H,5-8,10-11H2,1H3.

What are the key properties of 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one?

3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 343.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 57296286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).