2-methyl-3-piperidin-3-yl-1,2-oxazol-5-one

C9H14N2O2 — CID 84658480

IUPAC2-methyl-3-piperidin-3-yl-1,2-oxazol-5-one
SMILESCn1oc(=O)cc1C1CCCNC1
InChIInChI=1S/C9H14N2O2/c1-11-8(5-9(12)13-11)7-3-2-4-10-6-7/h5,7,10H,2-4,6H2,1H3
InChIKeyQLYFNAMGFILLKE-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.45
Rot. Bonds1

About 2-methyl-3-piperidin-3-yl-1,2-oxazol-5-one

2-methyl-3-piperidin-3-yl-1,2-oxazol-5-one (PubChem CID 84658480) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methyl-3-piperidin-3-yl-1,2-oxazol-5-one.

Molecular Properties

Compound Name2-methyl-3-piperidin-3-yl-1,2-oxazol-5-one
PubChem CID84658480
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-methyl-3-piperidin-3-yl-1,2-oxazol-5-one
SMILESCn1oc(=O)cc1C1CCCNC1
InChIInChI=1S/C9H14N2O2/c1-11-8(5-9(12)13-11)7-3-2-4-10-6-7/h5,7,10H,2-4,6H2,1H3
InChIKeyQLYFNAMGFILLKE-UHFFFAOYSA-N
XLogP0.45
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperidin-3-yl-1,2-oxazol-5-one?
The IUPAC name of 2-methyl-3-piperidin-3-yl-1,2-oxazol-5-one (CID 84658480) is 2-methyl-3-piperidin-3-yl-1,2-oxazol-5-one.
What is the SMILES notation for 2-methyl-3-piperidin-3-yl-1,2-oxazol-5-one?
The canonical SMILES for 2-methyl-3-piperidin-3-yl-1,2-oxazol-5-one is Cn1oc(=O)cc1C1CCCNC1.
What is the InChIKey of 2-methyl-3-piperidin-3-yl-1,2-oxazol-5-one?
The InChIKey is QLYFNAMGFILLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11-8(5-9(12)13-11)7-3-2-4-10-6-7/h5,7,10H,2-4,6H2,1H3.
What are the key properties of 2-methyl-3-piperidin-3-yl-1,2-oxazol-5-one?
2-methyl-3-piperidin-3-yl-1,2-oxazol-5-one has a molecular weight of 182.22 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperidin-3-yl-1,2-oxazol-5-one is sourced from PubChem (CID 84658480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).