3-[1-[2-(oxan-2-yl)acetyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid

C16H22N2O5 — CID 146103646

IUPAC3-[1-[2-(oxan-2-yl)acetyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CCN(C(=O)CC3CCCCO3)CC2)no1
InChIInChI=1S/C16H22N2O5/c19-15(9-12-3-1-2-8-22-12)18-6-4-11(5-7-18)13-10-14(16(20)21)23-17-13/h10-12H,1-9H2,(H,20,21)
InChIKeyDJHZKAFJMNEDCK-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.04
Rot. Bonds4

About 3-[1-[2-(oxan-2-yl)acetyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid

3-[1-[2-(oxan-2-yl)acetyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid (PubChem CID 146103646) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-[1-[2-(oxan-2-yl)acetyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[1-[2-(oxan-2-yl)acetyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
PubChem CID146103646
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name3-[1-[2-(oxan-2-yl)acetyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CCN(C(=O)CC3CCCCO3)CC2)no1
InChIInChI=1S/C16H22N2O5/c19-15(9-12-3-1-2-8-22-12)18-6-4-11(5-7-18)13-10-14(16(20)21)23-17-13/h10-12H,1-9H2,(H,20,21)
InChIKeyDJHZKAFJMNEDCK-UHFFFAOYSA-N
XLogP2.04
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(oxan-2-yl)acetyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[1-[2-(oxan-2-yl)acetyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid (CID 146103646) is 3-[1-[2-(oxan-2-yl)acetyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[1-[2-(oxan-2-yl)acetyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[1-[2-(oxan-2-yl)acetyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(C2CCN(C(=O)CC3CCCCO3)CC2)no1.
What is the InChIKey of 3-[1-[2-(oxan-2-yl)acetyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is DJHZKAFJMNEDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c19-15(9-12-3-1-2-8-22-12)18-6-4-11(5-7-18)13-10-14(16(20)21)23-17-13/h10-12H,1-9H2,(H,20,21).
What are the key properties of 3-[1-[2-(oxan-2-yl)acetyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
3-[1-[2-(oxan-2-yl)acetyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(oxan-2-yl)acetyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 146103646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).