3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide

C28H37Cl2N5O4Si — CID 169227567

About 3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide

3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide (PubChem CID 169227567) has the molecular formula C28H37Cl2N5O4Si and a molecular weight of 606.63 g/mol. Its IUPAC name is 3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide
• PubChem CID: 169227567
• Molecular Formula: C28H37Cl2N5O4Si
• Molecular Weight: 606.63 g/mol
• Exact Mass: 605.20
• IUPAC Name: 3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide
• SMILES: C[Si](C)(C)CCOCn1nc(N2CCC(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)CC2)cc1C(N)=O
• InChI: InChI=1S/C28H37Cl2N5O4Si/c1-40(2,3)14-13-37-17-35-23(28(31)36)15-24(32-35)34-11-9-19(10-12-34)38-16-20-26(33-39-27(20)18-7-8-18)25-21(29)5-4-6-22(25)30/h4-6,15,18-19H,7-14,16-17H2,1-3H3,(H2,31,36)
• InChIKey: JMAJHPKIPMQFCA-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 108.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.63
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide?

The IUPAC name of 3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide (CID 169227567) is 3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide.

What is the SMILES notation for 3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide?

The canonical SMILES for 3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide is C[Si](C)(C)CCOCn1nc(N2CCC(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)CC2)cc1C(N)=O.

What is the InChIKey of 3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide?

The InChIKey is JMAJHPKIPMQFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37Cl2N5O4Si/c1-40(2,3)14-13-37-17-35-23(28(31)36)15-24(32-35)34-11-9-19(10-12-34)38-16-20-26(33-39-27(20)18-7-8-18)25-21(29)5-4-6-22(25)30/h4-6,15,18-19H,7-14,16-17H2,1-3H3,(H2,31,36).

What are the key properties of 3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide?

3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide has a molecular weight of 606.63 g/mol, XLogP of 6.32, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 169227567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).