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

C14H20N2O5 — CID 66509383

IUPAC3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(C(=O)O)on2)CC1
InChIInChI=1S/C14H20N2O5/c1-14(2,3)20-13(19)16-6-4-9(5-7-16)10-8-11(12(17)18)21-15-10/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKeyWQPJMDOHKXDVBH-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.49
Rot. Bonds2

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

3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid (PubChem CID 66509383) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
PubChem CID66509383
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(C(=O)O)on2)CC1
InChIInChI=1S/C14H20N2O5/c1-14(2,3)20-13(19)16-6-4-9(5-7-16)10-8-11(12(17)18)21-15-10/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKeyWQPJMDOHKXDVBH-UHFFFAOYSA-N
XLogP2.49
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid (CID 66509383) is 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid is CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)O)on2)CC1.
What is the InChIKey of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is WQPJMDOHKXDVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-14(2,3)20-13(19)16-6-4-9(5-7-16)10-8-11(12(17)18)21-15-10/h8-9H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 66509383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).