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

C8H12N2O — CID 55262740

IUPAC3-piperidin-4-yl-1,2-oxazole
SMILESc1cc(C2CCNCC2)no1
InChIInChI=1S/C8H12N2O/c1-4-9-5-2-7(1)8-3-6-11-10-8/h3,6-7,9H,1-2,4-5H2
InChIKeyKGDGSULSAJSJRK-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.14
Rot. Bonds1

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

3-piperidin-4-yl-1,2-oxazole (PubChem CID 55262740) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-piperidin-4-yl-1,2-oxazole.

Molecular Properties

Compound Name3-piperidin-4-yl-1,2-oxazole
PubChem CID55262740
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-piperidin-4-yl-1,2-oxazole
SMILESc1cc(C2CCNCC2)no1
InChIInChI=1S/C8H12N2O/c1-4-9-5-2-7(1)8-3-6-11-10-8/h3,6-7,9H,1-2,4-5H2
InChIKeyKGDGSULSAJSJRK-UHFFFAOYSA-N
XLogP1.14
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1,2-oxazole?
The IUPAC name of 3-piperidin-4-yl-1,2-oxazole (CID 55262740) is 3-piperidin-4-yl-1,2-oxazole.
What is the SMILES notation for 3-piperidin-4-yl-1,2-oxazole?
The canonical SMILES for 3-piperidin-4-yl-1,2-oxazole is c1cc(C2CCNCC2)no1.
What is the InChIKey of 3-piperidin-4-yl-1,2-oxazole?
The InChIKey is KGDGSULSAJSJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-9-5-2-7(1)8-3-6-11-10-8/h3,6-7,9H,1-2,4-5H2.
What are the key properties of 3-piperidin-4-yl-1,2-oxazole?
3-piperidin-4-yl-1,2-oxazole has a molecular weight of 152.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1,2-oxazole is sourced from PubChem (CID 55262740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).