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

C16H22N2O5 — CID 146103649

IUPAC3-[1-(2-methyloxane-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
SMILESCC1CC(C(=O)N2CCC(c3cc(C(=O)O)on3)CC2)CCO1
InChIInChI=1S/C16H22N2O5/c1-10-8-12(4-7-22-10)15(19)18-5-2-11(3-6-18)13-9-14(16(20)21)23-17-13/h9-12H,2-8H2,1H3,(H,20,21)
InChIKeyFYCQJGMAVIADBG-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.89
Rot. Bonds3

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

3-[1-(2-methyloxane-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid (PubChem CID 146103649) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-[1-(2-methyloxane-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[1-(2-methyloxane-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
PubChem CID146103649
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name3-[1-(2-methyloxane-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
SMILESCC1CC(C(=O)N2CCC(c3cc(C(=O)O)on3)CC2)CCO1
InChIInChI=1S/C16H22N2O5/c1-10-8-12(4-7-22-10)15(19)18-5-2-11(3-6-18)13-9-14(16(20)21)23-17-13/h9-12H,2-8H2,1H3,(H,20,21)
InChIKeyFYCQJGMAVIADBG-UHFFFAOYSA-N
XLogP1.89
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methyloxane-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[1-(2-methyloxane-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid (CID 146103649) is 3-[1-(2-methyloxane-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[1-(2-methyloxane-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[1-(2-methyloxane-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid is CC1CC(C(=O)N2CCC(c3cc(C(=O)O)on3)CC2)CCO1.
What is the InChIKey of 3-[1-(2-methyloxane-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is FYCQJGMAVIADBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-10-8-12(4-7-22-10)15(19)18-5-2-11(3-6-18)13-9-14(16(20)21)23-17-13/h9-12H,2-8H2,1H3,(H,20,21).
What are the key properties of 3-[1-(2-methyloxane-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
3-[1-(2-methyloxane-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methyloxane-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 146103649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).