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

C14H20N2O5 — CID 66792744

IUPAC5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)O)CC1
InChIInChI=1S/C14H20N2O5/c1-14(2,3)21-13(19)16-6-4-9(5-7-16)11-10(12(17)18)15-8-20-11/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKeyIKDSOZSAZOWWKW-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.49
Rot. Bonds2

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

5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 66792744) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID66792744
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)O)CC1
InChIInChI=1S/C14H20N2O5/c1-14(2,3)21-13(19)16-6-4-9(5-7-16)11-10(12(17)18)15-8-20-11/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKeyIKDSOZSAZOWWKW-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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid (CID 66792744) is 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)O)CC1.
What is the InChIKey of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is IKDSOZSAZOWWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-14(2,3)21-13(19)16-6-4-9(5-7-16)11-10(12(17)18)15-8-20-11/h8-9H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid?
5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-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 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 66792744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).