methyl 3-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate

C27H30Cl2N4O5 — CID 57405937

About methyl 3-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate

methyl 3-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate (PubChem CID 57405937) has the molecular formula C27H30Cl2N4O5 and a molecular weight of 561.47 g/mol. Its IUPAC name is methyl 3-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate
• PubChem CID: 57405937
• Molecular Formula: C27H30Cl2N4O5
• Molecular Weight: 561.47 g/mol
• Exact Mass: 560.16
• IUPAC Name: methyl 3-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate
• SMILES: COC(=O)C1CCC(c2nc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)no2)C1
• InChI: InChI=1S/C27H30Cl2N4O5/c1-35-26(34)17-8-7-16(13-17)25-30-27(32-38-25)33-11-9-18(10-12-33)36-14-19-23(31-37-24(19)15-5-6-15)22-20(28)3-2-4-21(22)29/h2-4,15-18H,5-14H2,1H3
• InChIKey: CIPWGDIZRQDKKX-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 103.72 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.47
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate?

The IUPAC name of methyl 3-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate (CID 57405937) is methyl 3-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate.

What is the SMILES notation for methyl 3-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate?

The canonical SMILES for methyl 3-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate is COC(=O)C1CCC(c2nc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)no2)C1.

What is the InChIKey of methyl 3-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate?

The InChIKey is CIPWGDIZRQDKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30Cl2N4O5/c1-35-26(34)17-8-7-16(13-17)25-30-27(32-38-25)33-11-9-18(10-12-33)36-14-19-23(31-37-24(19)15-5-6-15)22-20(28)3-2-4-21(22)29/h2-4,15-18H,5-14H2,1H3.

What are the key properties of methyl 3-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate?

methyl 3-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate has a molecular weight of 561.47 g/mol, XLogP of 6.15, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate is sourced from PubChem (CID 57405937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).