5-tert-butyl-1-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid

C17H23N3O3S — CID 178133207

IUPAC5-tert-butyl-1-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)C1CC(C(=O)O)CN(Cc2cc(-c3nccs3)no2)C1
InChIInChI=1S/C17H23N3O3S/c1-17(2,3)12-6-11(16(21)22)8-20(9-12)10-13-7-14(19-23-13)15-18-4-5-24-15/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,21,22)
InChIKeyOWIHDNYUTUBCBL-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.37
Rot. Bonds4

About 5-tert-butyl-1-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid

5-tert-butyl-1-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid (PubChem CID 178133207) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-tert-butyl-1-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-1-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid
PubChem CID178133207
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name5-tert-butyl-1-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)C1CC(C(=O)O)CN(Cc2cc(-c3nccs3)no2)C1
InChIInChI=1S/C17H23N3O3S/c1-17(2,3)12-6-11(16(21)22)8-20(9-12)10-13-7-14(19-23-13)15-18-4-5-24-15/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,21,22)
InChIKeyOWIHDNYUTUBCBL-UHFFFAOYSA-N
XLogP3.37
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-1-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-tert-butyl-1-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid (CID 178133207) is 5-tert-butyl-1-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-tert-butyl-1-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-tert-butyl-1-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid is CC(C)(C)C1CC(C(=O)O)CN(Cc2cc(-c3nccs3)no2)C1.
What is the InChIKey of 5-tert-butyl-1-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid?
The InChIKey is OWIHDNYUTUBCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-17(2,3)12-6-11(16(21)22)8-20(9-12)10-13-7-14(19-23-13)15-18-4-5-24-15/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,21,22).
What are the key properties of 5-tert-butyl-1-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid?
5-tert-butyl-1-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid has a molecular weight of 349.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 178133207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).