2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid

C13H20N2O3 — CID 113377249

IUPAC2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
SMILESCC(C)(C)C1CCN(c2nc(C(=O)O)co2)CC1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)9-4-6-15(7-5-9)12-14-10(8-18-12)11(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyYOCNKFAOMMVJHU-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.64
Rot. Bonds2

About 2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid

2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 113377249) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID113377249
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
SMILESCC(C)(C)C1CCN(c2nc(C(=O)O)co2)CC1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)9-4-6-15(7-5-9)12-14-10(8-18-12)11(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyYOCNKFAOMMVJHU-UHFFFAOYSA-N
XLogP2.64
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid (CID 113377249) is 2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid is CC(C)(C)C1CCN(c2nc(C(=O)O)co2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is YOCNKFAOMMVJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,3)9-4-6-15(7-5-9)12-14-10(8-18-12)11(16)17/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid?
2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 113377249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).