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

C21H26N2O5 — CID 24790418

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(Cc2cc(-c3ccccc3)no2)(C(=O)O)CC1
InChIInChI=1S/C21H26N2O5/c1-20(2,3)27-19(26)23-11-9-21(10-12-23,18(24)25)14-16-13-17(22-28-16)15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3,(H,24,25)
InChIKeyIGWHAKMJHXLYEK-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.99
Rot. Bonds4

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

1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 24790418) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid
PubChem CID24790418
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(Cc2cc(-c3ccccc3)no2)(C(=O)O)CC1
InChIInChI=1S/C21H26N2O5/c1-20(2,3)27-19(26)23-11-9-21(10-12-23,18(24)25)14-16-13-17(22-28-16)15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3,(H,24,25)
InChIKeyIGWHAKMJHXLYEK-UHFFFAOYSA-N
XLogP3.99
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid (CID 24790418) is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(Cc2cc(-c3ccccc3)no2)(C(=O)O)CC1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is IGWHAKMJHXLYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-20(2,3)27-19(26)23-11-9-21(10-12-23,18(24)25)14-16-13-17(22-28-16)15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3,(H,24,25).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 386.45 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 24790418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).