About [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(morpholine-4-carbonyl)pyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(morpholine-4-carbonyl)pyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate (PubChem CID 68807882) has the molecular formula C25H31ClN6O5S
and a molecular weight of 563.08 g/mol. Its IUPAC name is [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(morpholine-4-carbonyl)pyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate.
Molecular Properties
| Compound Name | [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(morpholine-4-carbonyl)pyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate |
|---|
| PubChem CID | 68807882 |
|---|
| Molecular Formula | C25H31ClN6O5S |
|---|
| Molecular Weight | 563.08 g/mol |
|---|
| Exact Mass | 562.18 |
|---|
| IUPAC Name | [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(morpholine-4-carbonyl)pyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate |
|---|
| SMILES | CC(C)N1CCC(NC(=O)Oc2cc(C(=O)N3CCOCC3)n(Cc3cc(-c4ccc(Cl)s4)on3)n2)CC1 |
|---|
| InChI | InChI=1S/C25H31ClN6O5S/c1-16(2)30-7-5-17(6-8-30)27-25(34)36-23-14-19(24(33)31-9-11-35-12-10-31)32(28-23)15-18-13-20(37-29-18)21-3-4-22(26)38-21/h3-4,13-14,16-17H,5-12,15H2,1-2H3,(H,27,34) |
|---|
| InChIKey | KSBHIYBMWDVJNM-UHFFFAOYSA-N |
|---|
| XLogP | 3.73 |
|---|
| TPSA | 114.96 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 10 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 38 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 563.08 |
| LogP ≤ 5 | 3.73 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(morpholine-4-carbonyl)pyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate 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 [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(morpholine-4-carbonyl)pyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
The IUPAC name of [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(morpholine-4-carbonyl)pyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate (CID 68807882) is [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(morpholine-4-carbonyl)pyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate.
What is the SMILES notation for [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(morpholine-4-carbonyl)pyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
The canonical SMILES for [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(morpholine-4-carbonyl)pyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate is CC(C)N1CCC(NC(=O)Oc2cc(C(=O)N3CCOCC3)n(Cc3cc(-c4ccc(Cl)s4)on3)n2)CC1.
What is the InChIKey of [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(morpholine-4-carbonyl)pyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
The InChIKey is KSBHIYBMWDVJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN6O5S/c1-16(2)30-7-5-17(6-8-30)27-25(34)36-23-14-19(24(33)31-9-11-35-12-10-31)32(28-23)15-18-13-20(37-29-18)21-3-4-22(26)38-21/h3-4,13-14,16-17H,5-12,15H2,1-2H3,(H,27,34).
What are the key properties of [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(morpholine-4-carbonyl)pyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(morpholine-4-carbonyl)pyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate has a molecular weight of 563.08 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(morpholine-4-carbonyl)pyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate is sourced from PubChem (CID 68807882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).