1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid

C20H24N2O4 — CID 119168191

IUPAC1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)no1
InChIInChI=1S/C20H24N2O4/c1-19(2,3)16-13-15(21-26-16)17(23)22-11-9-20(10-12-22,18(24)25)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,24,25)
InChIKeyXKLNYWDBEJLQQY-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.23
Rot. Bonds3

About 1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid

1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 119168191) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID119168191
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)no1
InChIInChI=1S/C20H24N2O4/c1-19(2,3)16-13-15(21-26-16)17(23)22-11-9-20(10-12-22,18(24)25)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,24,25)
InChIKeyXKLNYWDBEJLQQY-UHFFFAOYSA-N
XLogP3.23
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid (CID 119168191) is 1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid is CC(C)(C)c1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is XKLNYWDBEJLQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-19(2,3)16-13-15(21-26-16)17(23)22-11-9-20(10-12-22,18(24)25)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,24,25).
What are the key properties of 1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 356.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 119168191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).