5-(chloromethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole

C12H19ClN2O2 — CID 67189274

IUPAC5-(chloromethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole
SMILESClCc1cc(OCCCN2CCCCC2)no1
InChIInChI=1S/C12H19ClN2O2/c13-10-11-9-12(14-17-11)16-8-4-7-15-5-2-1-3-6-15/h9H,1-8,10H2
InChIKeyXVCZPUCWFYKODS-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.67
Rot. Bonds6

About 5-(chloromethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole

5-(chloromethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole (PubChem CID 67189274) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole
PubChem CID67189274
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name5-(chloromethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole
SMILESClCc1cc(OCCCN2CCCCC2)no1
InChIInChI=1S/C12H19ClN2O2/c13-10-11-9-12(14-17-11)16-8-4-7-15-5-2-1-3-6-15/h9H,1-8,10H2
InChIKeyXVCZPUCWFYKODS-UHFFFAOYSA-N
XLogP2.67
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole?
The IUPAC name of 5-(chloromethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole (CID 67189274) is 5-(chloromethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole.
What is the SMILES notation for 5-(chloromethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole?
The canonical SMILES for 5-(chloromethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole is ClCc1cc(OCCCN2CCCCC2)no1.
What is the InChIKey of 5-(chloromethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole?
The InChIKey is XVCZPUCWFYKODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c13-10-11-9-12(14-17-11)16-8-4-7-15-5-2-1-3-6-15/h9H,1-8,10H2.
What are the key properties of 5-(chloromethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole?
5-(chloromethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole has a molecular weight of 258.75 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole is sourced from PubChem (CID 67189274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).