3-(2-methyl-1,3-oxazol-4-yl)-1-piperazin-1-ylpropan-1-one

C11H17N3O2 — CID 82509531

IUPAC3-(2-methyl-1,3-oxazol-4-yl)-1-piperazin-1-ylpropan-1-one
SMILESCc1nc(CCC(=O)N2CCNCC2)co1
InChIInChI=1S/C11H17N3O2/c1-9-13-10(8-16-9)2-3-11(15)14-6-4-12-5-7-14/h8,12H,2-7H2,1H3
InChIKeyOHLVSUFERRHPBB-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.35
Rot. Bonds3

About 3-(2-methyl-1,3-oxazol-4-yl)-1-piperazin-1-ylpropan-1-one

3-(2-methyl-1,3-oxazol-4-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 82509531) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(2-methyl-1,3-oxazol-4-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-methyl-1,3-oxazol-4-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID82509531
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(2-methyl-1,3-oxazol-4-yl)-1-piperazin-1-ylpropan-1-one
SMILESCc1nc(CCC(=O)N2CCNCC2)co1
InChIInChI=1S/C11H17N3O2/c1-9-13-10(8-16-9)2-3-11(15)14-6-4-12-5-7-14/h8,12H,2-7H2,1H3
InChIKeyOHLVSUFERRHPBB-UHFFFAOYSA-N
XLogP0.35
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-oxazol-4-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(2-methyl-1,3-oxazol-4-yl)-1-piperazin-1-ylpropan-1-one (CID 82509531) is 3-(2-methyl-1,3-oxazol-4-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2-methyl-1,3-oxazol-4-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(2-methyl-1,3-oxazol-4-yl)-1-piperazin-1-ylpropan-1-one is Cc1nc(CCC(=O)N2CCNCC2)co1.
What is the InChIKey of 3-(2-methyl-1,3-oxazol-4-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is OHLVSUFERRHPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9-13-10(8-16-9)2-3-11(15)14-6-4-12-5-7-14/h8,12H,2-7H2,1H3.
What are the key properties of 3-(2-methyl-1,3-oxazol-4-yl)-1-piperazin-1-ylpropan-1-one?
3-(2-methyl-1,3-oxazol-4-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 223.28 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-oxazol-4-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82509531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).