3-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propanal

C11H17N3O2 — CID 155046166

IUPAC3-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propanal
SMILESCc1cnc(N2CCN(CCC=O)CC2)o1
InChIInChI=1S/C11H17N3O2/c1-10-9-12-11(16-10)14-6-4-13(5-7-14)3-2-8-15/h8-9H,2-7H2,1H3
InChIKeyYYRJGVXAQZMWDY-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.69
Rot. Bonds4

About 3-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propanal

3-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propanal (PubChem CID 155046166) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propanal.

Molecular Properties

Compound Name3-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propanal
PubChem CID155046166
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propanal
SMILESCc1cnc(N2CCN(CCC=O)CC2)o1
InChIInChI=1S/C11H17N3O2/c1-10-9-12-11(16-10)14-6-4-13(5-7-14)3-2-8-15/h8-9H,2-7H2,1H3
InChIKeyYYRJGVXAQZMWDY-UHFFFAOYSA-N
XLogP0.69
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propanal?
The IUPAC name of 3-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propanal (CID 155046166) is 3-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propanal.
What is the SMILES notation for 3-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propanal?
The canonical SMILES for 3-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propanal is Cc1cnc(N2CCN(CCC=O)CC2)o1.
What is the InChIKey of 3-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propanal?
The InChIKey is YYRJGVXAQZMWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-10-9-12-11(16-10)14-6-4-13(5-7-14)3-2-8-15/h8-9H,2-7H2,1H3.
What are the key properties of 3-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propanal?
3-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propanal has a molecular weight of 223.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propanal is sourced from PubChem (CID 155046166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).