4-tert-butyl-2-(piperidin-3-ylmethyl)-1,3-oxazole

C13H22N2O — CID 105479704

IUPAC4-tert-butyl-2-(piperidin-3-ylmethyl)-1,3-oxazole
SMILESCC(C)(C)c1coc(CC2CCCNC2)n1
InChIInChI=1S/C13H22N2O/c1-13(2,3)11-9-16-12(15-11)7-10-5-4-6-14-8-10/h9-10,14H,4-8H2,1-3H3
InChIKeyBBONLZPLQGZMNV-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.51
Rot. Bonds2

About 4-tert-butyl-2-(piperidin-3-ylmethyl)-1,3-oxazole

4-tert-butyl-2-(piperidin-3-ylmethyl)-1,3-oxazole (PubChem CID 105479704) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-tert-butyl-2-(piperidin-3-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-2-(piperidin-3-ylmethyl)-1,3-oxazole
PubChem CID105479704
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-tert-butyl-2-(piperidin-3-ylmethyl)-1,3-oxazole
SMILESCC(C)(C)c1coc(CC2CCCNC2)n1
InChIInChI=1S/C13H22N2O/c1-13(2,3)11-9-16-12(15-11)7-10-5-4-6-14-8-10/h9-10,14H,4-8H2,1-3H3
InChIKeyBBONLZPLQGZMNV-UHFFFAOYSA-N
XLogP2.51
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(piperidin-3-ylmethyl)-1,3-oxazole?
The IUPAC name of 4-tert-butyl-2-(piperidin-3-ylmethyl)-1,3-oxazole (CID 105479704) is 4-tert-butyl-2-(piperidin-3-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-2-(piperidin-3-ylmethyl)-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-2-(piperidin-3-ylmethyl)-1,3-oxazole is CC(C)(C)c1coc(CC2CCCNC2)n1.
What is the InChIKey of 4-tert-butyl-2-(piperidin-3-ylmethyl)-1,3-oxazole?
The InChIKey is BBONLZPLQGZMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,3)11-9-16-12(15-11)7-10-5-4-6-14-8-10/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(piperidin-3-ylmethyl)-1,3-oxazole?
4-tert-butyl-2-(piperidin-3-ylmethyl)-1,3-oxazole has a molecular weight of 222.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(piperidin-3-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 105479704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).