4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid

C17H18N2O4 — CID 22240981

IUPAC4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1ccno1)N1CCC(Cc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C17H18N2O4/c20-15(14-6-9-18-23-14)19-10-7-17(8-11-19,16(21)22)12-13-4-2-1-3-5-13/h1-6,9H,7-8,10-12H2,(H,21,22)
InChIKeyUPKHAOYNRLAFQN-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.22
Rot. Bonds4

About 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid

4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid (PubChem CID 22240981) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
PubChem CID22240981
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1ccno1)N1CCC(Cc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C17H18N2O4/c20-15(14-6-9-18-23-14)19-10-7-17(8-11-19,16(21)22)12-13-4-2-1-3-5-13/h1-6,9H,7-8,10-12H2,(H,21,22)
InChIKeyUPKHAOYNRLAFQN-UHFFFAOYSA-N
XLogP2.22
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid (CID 22240981) is 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid is O=C(c1ccno1)N1CCC(Cc2ccccc2)(C(=O)O)CC1.
What is the InChIKey of 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is UPKHAOYNRLAFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-15(14-6-9-18-23-14)19-10-7-17(8-11-19,16(21)22)12-13-4-2-1-3-5-13/h1-6,9H,7-8,10-12H2,(H,21,22).
What are the key properties of 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid?
4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 22240981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).