5-chloro-2-piperidin-4-yl-1,3-oxazole

C8H11ClN2O — CID 117258851

IUPAC5-chloro-2-piperidin-4-yl-1,3-oxazole
SMILESClc1cnc(C2CCNCC2)o1
InChIInChI=1S/C8H11ClN2O/c9-7-5-11-8(12-7)6-1-3-10-4-2-6/h5-6,10H,1-4H2
InChIKeyIPPJNSYNXBORMZ-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.79
Rot. Bonds1

About 5-chloro-2-piperidin-4-yl-1,3-oxazole

5-chloro-2-piperidin-4-yl-1,3-oxazole (PubChem CID 117258851) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 5-chloro-2-piperidin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name5-chloro-2-piperidin-4-yl-1,3-oxazole
PubChem CID117258851
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name5-chloro-2-piperidin-4-yl-1,3-oxazole
SMILESClc1cnc(C2CCNCC2)o1
InChIInChI=1S/C8H11ClN2O/c9-7-5-11-8(12-7)6-1-3-10-4-2-6/h5-6,10H,1-4H2
InChIKeyIPPJNSYNXBORMZ-UHFFFAOYSA-N
XLogP1.79
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-piperidin-4-yl-1,3-oxazole?
The IUPAC name of 5-chloro-2-piperidin-4-yl-1,3-oxazole (CID 117258851) is 5-chloro-2-piperidin-4-yl-1,3-oxazole.
What is the SMILES notation for 5-chloro-2-piperidin-4-yl-1,3-oxazole?
The canonical SMILES for 5-chloro-2-piperidin-4-yl-1,3-oxazole is Clc1cnc(C2CCNCC2)o1.
What is the InChIKey of 5-chloro-2-piperidin-4-yl-1,3-oxazole?
The InChIKey is IPPJNSYNXBORMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-7-5-11-8(12-7)6-1-3-10-4-2-6/h5-6,10H,1-4H2.
What are the key properties of 5-chloro-2-piperidin-4-yl-1,3-oxazole?
5-chloro-2-piperidin-4-yl-1,3-oxazole has a molecular weight of 186.64 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-piperidin-4-yl-1,3-oxazole is sourced from PubChem (CID 117258851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).