5-methyl-3-piperidin-2-yl-1,2-oxazole

C9H14N2O — CID 46785747

IUPAC5-methyl-3-piperidin-2-yl-1,2-oxazole
SMILESCc1cc(C2CCCCN2)no1
InChIInChI=1S/C9H14N2O/c1-7-6-9(11-12-7)8-4-2-3-5-10-8/h6,8,10H,2-5H2,1H3
InChIKeyBYXVVIQOTFWZNV-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.80
Rot. Bonds1

About 5-methyl-3-piperidin-2-yl-1,2-oxazole

5-methyl-3-piperidin-2-yl-1,2-oxazole (PubChem CID 46785747) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-methyl-3-piperidin-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-piperidin-2-yl-1,2-oxazole
PubChem CID46785747
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5-methyl-3-piperidin-2-yl-1,2-oxazole
SMILESCc1cc(C2CCCCN2)no1
InChIInChI=1S/C9H14N2O/c1-7-6-9(11-12-7)8-4-2-3-5-10-8/h6,8,10H,2-5H2,1H3
InChIKeyBYXVVIQOTFWZNV-UHFFFAOYSA-N
XLogP1.80
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-piperidin-2-yl-1,2-oxazole?
The IUPAC name of 5-methyl-3-piperidin-2-yl-1,2-oxazole (CID 46785747) is 5-methyl-3-piperidin-2-yl-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-piperidin-2-yl-1,2-oxazole?
The canonical SMILES for 5-methyl-3-piperidin-2-yl-1,2-oxazole is Cc1cc(C2CCCCN2)no1.
What is the InChIKey of 5-methyl-3-piperidin-2-yl-1,2-oxazole?
The InChIKey is BYXVVIQOTFWZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-6-9(11-12-7)8-4-2-3-5-10-8/h6,8,10H,2-5H2,1H3.
What are the key properties of 5-methyl-3-piperidin-2-yl-1,2-oxazole?
5-methyl-3-piperidin-2-yl-1,2-oxazole has a molecular weight of 166.22 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-piperidin-2-yl-1,2-oxazole is sourced from PubChem (CID 46785747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).