About 5-cyclopropyl-N-[[3-[2-(2-methoxyphenyl)ethoxymethyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide
5-cyclopropyl-N-[[3-[2-(2-methoxyphenyl)ethoxymethyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide (PubChem CID 130188037) has the molecular formula C29H35N3O4
and a molecular weight of 489.62 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[3-[2-(2-methoxyphenyl)ethoxymethyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide.
Molecular Properties
| Compound Name | 5-cyclopropyl-N-[[3-[2-(2-methoxyphenyl)ethoxymethyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide |
|---|
| PubChem CID | 130188037 |
|---|
| Molecular Formula | C29H35N3O4 |
|---|
| Molecular Weight | 489.62 g/mol |
|---|
| Exact Mass | 489.26 |
|---|
| IUPAC Name | 5-cyclopropyl-N-[[3-[2-(2-methoxyphenyl)ethoxymethyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide |
|---|
| SMILES | COc1ccccc1CCOCc1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCNCC2)c1 |
|---|
| InChI | InChI=1S/C29H35N3O4/c1-34-26-8-3-2-6-21(26)13-16-35-19-20-5-4-7-24(17-20)28(23-11-14-30-15-12-23)31-29(33)25-18-27(36-32-25)22-9-10-22/h2-8,17-18,22-23,28,30H,9-16,19H2,1H3,(H,31,33) |
|---|
| InChIKey | BBJKRIDRLNJDPJ-UHFFFAOYSA-N |
|---|
| XLogP | 4.79 |
|---|
| TPSA | 85.62 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 11 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 489.62 |
| LogP ≤ 5 | 4.79 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Analyze 5-cyclopropyl-N-[[3-[2-(2-methoxyphenyl)ethoxymethyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide 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-cyclopropyl-N-[[3-[2-(2-methoxyphenyl)ethoxymethyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[3-[2-(2-methoxyphenyl)ethoxymethyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide (CID 130188037) is 5-cyclopropyl-N-[[3-[2-(2-methoxyphenyl)ethoxymethyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[3-[2-(2-methoxyphenyl)ethoxymethyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[3-[2-(2-methoxyphenyl)ethoxymethyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide is COc1ccccc1CCOCc1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCNCC2)c1.
What is the InChIKey of 5-cyclopropyl-N-[[3-[2-(2-methoxyphenyl)ethoxymethyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BBJKRIDRLNJDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O4/c1-34-26-8-3-2-6-21(26)13-16-35-19-20-5-4-7-24(17-20)28(23-11-14-30-15-12-23)31-29(33)25-18-27(36-32-25)22-9-10-22/h2-8,17-18,22-23,28,30H,9-16,19H2,1H3,(H,31,33).
What are the key properties of 5-cyclopropyl-N-[[3-[2-(2-methoxyphenyl)ethoxymethyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[[3-[2-(2-methoxyphenyl)ethoxymethyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 4.79, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[3-[2-(2-methoxyphenyl)ethoxymethyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130188037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).