5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid

C14H22N2O3 — CID 112753466

IUPAC5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
SMILESCC(C)(C)C1CCN(Cc2oncc2C(=O)O)CC1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)10-4-6-16(7-5-10)9-12-11(13(17)18)8-15-19-12/h8,10H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyHPSSZLPUHDFSLT-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.63
Rot. Bonds3

About 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid

5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 112753466) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
PubChem CID112753466
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
SMILESCC(C)(C)C1CCN(Cc2oncc2C(=O)O)CC1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)10-4-6-16(7-5-10)9-12-11(13(17)18)8-15-19-12/h8,10H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyHPSSZLPUHDFSLT-UHFFFAOYSA-N
XLogP2.63
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid (CID 112753466) is 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid is CC(C)(C)C1CCN(Cc2oncc2C(=O)O)CC1.
What is the InChIKey of 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is HPSSZLPUHDFSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)10-4-6-16(7-5-10)9-12-11(13(17)18)8-15-19-12/h8,10H,4-7,9H2,1-3H3,(H,17,18).
What are the key properties of 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 112753466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).