4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid

C16H18N2O4 — CID 167922914

IUPAC4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(Cc2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C16H18N2O4/c19-15(20)16(21)6-8-18(9-7-16)11-14-17-10-13(22-14)12-4-2-1-3-5-12/h1-5,10,21H,6-9,11H2,(H,19,20)
InChIKeyIWEUKMRXXGUSEN-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.75
Rot. Bonds4

About 4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid

4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 167922914) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid
PubChem CID167922914
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(Cc2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C16H18N2O4/c19-15(20)16(21)6-8-18(9-7-16)11-14-17-10-13(22-14)12-4-2-1-3-5-12/h1-5,10,21H,6-9,11H2,(H,19,20)
InChIKeyIWEUKMRXXGUSEN-UHFFFAOYSA-N
XLogP1.75
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid (CID 167922914) is 4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid is O=C(O)C1(O)CCN(Cc2ncc(-c3ccccc3)o2)CC1.
What is the InChIKey of 4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is IWEUKMRXXGUSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-15(20)16(21)6-8-18(9-7-16)11-14-17-10-13(22-14)12-4-2-1-3-5-12/h1-5,10,21H,6-9,11H2,(H,19,20).
What are the key properties of 4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 167922914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).