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

C13H20N2O3 — CID 112753467

IUPAC5-[(4-propylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
SMILESCCCC1CCN(Cc2oncc2C(=O)O)CC1
InChIInChI=1S/C13H20N2O3/c1-2-3-10-4-6-15(7-5-10)9-12-11(13(16)17)8-14-18-12/h8,10H,2-7,9H2,1H3,(H,16,17)
InChIKeyQRUYZOKHTWPIBY-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.38
Rot. Bonds5

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

5-[(4-propylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 112753467) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-[(4-propylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-propylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
PubChem CID112753467
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-[(4-propylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
SMILESCCCC1CCN(Cc2oncc2C(=O)O)CC1
InChIInChI=1S/C13H20N2O3/c1-2-3-10-4-6-15(7-5-10)9-12-11(13(16)17)8-14-18-12/h8,10H,2-7,9H2,1H3,(H,16,17)
InChIKeyQRUYZOKHTWPIBY-UHFFFAOYSA-N
XLogP2.38
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-propylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(4-propylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid (CID 112753467) is 5-[(4-propylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-propylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-propylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid is CCCC1CCN(Cc2oncc2C(=O)O)CC1.
What is the InChIKey of 5-[(4-propylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is QRUYZOKHTWPIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-3-10-4-6-15(7-5-10)9-12-11(13(16)17)8-14-18-12/h8,10H,2-7,9H2,1H3,(H,16,17).
What are the key properties of 5-[(4-propylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
5-[(4-propylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 112753467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).