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

C17H24N2O5 — CID 146103642

IUPAC3-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CCN(C(=O)CCC3CCCCO3)CC2)no1
InChIInChI=1S/C17H24N2O5/c20-16(5-4-13-3-1-2-10-23-13)19-8-6-12(7-9-19)14-11-15(17(21)22)24-18-14/h11-13H,1-10H2,(H,21,22)
InChIKeyFYGYMGSLRHJUDB-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.43
Rot. Bonds5

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

3-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid (PubChem CID 146103642) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
PubChem CID146103642
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name3-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CCN(C(=O)CCC3CCCCO3)CC2)no1
InChIInChI=1S/C17H24N2O5/c20-16(5-4-13-3-1-2-10-23-13)19-8-6-12(7-9-19)14-11-15(17(21)22)24-18-14/h11-13H,1-10H2,(H,21,22)
InChIKeyFYGYMGSLRHJUDB-UHFFFAOYSA-N
XLogP2.43
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid (CID 146103642) is 3-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(C2CCN(C(=O)CCC3CCCCO3)CC2)no1.
What is the InChIKey of 3-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is FYGYMGSLRHJUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c20-16(5-4-13-3-1-2-10-23-13)19-8-6-12(7-9-19)14-11-15(17(21)22)24-18-14/h11-13H,1-10H2,(H,21,22).
What are the key properties of 3-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
3-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 146103642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).