2-(piperidin-3-ylmethyl)-4-propan-2-yl-1,3-oxazole

C12H20N2O — CID 105462182

IUPAC2-(piperidin-3-ylmethyl)-4-propan-2-yl-1,3-oxazole
SMILESCC(C)c1coc(CC2CCCNC2)n1
InChIInChI=1S/C12H20N2O/c1-9(2)11-8-15-12(14-11)6-10-4-3-5-13-7-10/h8-10,13H,3-7H2,1-2H3
InChIKeyMBWOUMDCUZPZHD-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.34
Rot. Bonds3

About 2-(piperidin-3-ylmethyl)-4-propan-2-yl-1,3-oxazole

2-(piperidin-3-ylmethyl)-4-propan-2-yl-1,3-oxazole (PubChem CID 105462182) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)-4-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)-4-propan-2-yl-1,3-oxazole
PubChem CID105462182
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-(piperidin-3-ylmethyl)-4-propan-2-yl-1,3-oxazole
SMILESCC(C)c1coc(CC2CCCNC2)n1
InChIInChI=1S/C12H20N2O/c1-9(2)11-8-15-12(14-11)6-10-4-3-5-13-7-10/h8-10,13H,3-7H2,1-2H3
InChIKeyMBWOUMDCUZPZHD-UHFFFAOYSA-N
XLogP2.34
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)-4-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-(piperidin-3-ylmethyl)-4-propan-2-yl-1,3-oxazole (CID 105462182) is 2-(piperidin-3-ylmethyl)-4-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)-4-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-(piperidin-3-ylmethyl)-4-propan-2-yl-1,3-oxazole is CC(C)c1coc(CC2CCCNC2)n1.
What is the InChIKey of 2-(piperidin-3-ylmethyl)-4-propan-2-yl-1,3-oxazole?
The InChIKey is MBWOUMDCUZPZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)11-8-15-12(14-11)6-10-4-3-5-13-7-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 2-(piperidin-3-ylmethyl)-4-propan-2-yl-1,3-oxazole?
2-(piperidin-3-ylmethyl)-4-propan-2-yl-1,3-oxazole has a molecular weight of 208.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethyl)-4-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 105462182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).