methyl 5-[2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]pyrazine-2-carboxylate

C26H26Cl2N4O4 — CID 135373696

About methyl 5-[2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]pyrazine-2-carboxylate

methyl 5-[2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]pyrazine-2-carboxylate (PubChem CID 135373696) has the molecular formula C26H26Cl2N4O4 and a molecular weight of 529.42 g/mol. Its IUPAC name is methyl 5-[2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]pyrazine-2-carboxylate
• PubChem CID: 135373696
• Molecular Formula: C26H26Cl2N4O4
• Molecular Weight: 529.42 g/mol
• Exact Mass: 528.13
• IUPAC Name: methyl 5-[2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]pyrazine-2-carboxylate
• SMILES: COC(=O)c1cnc(N2CCC3(CC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C3)C2)cn1
• InChI: InChI=1S/C26H26Cl2N4O4/c1-34-25(33)20-11-30-21(12-29-20)32-8-7-26(14-32)9-16(10-26)35-13-17-23(31-36-24(17)15-5-6-15)22-18(27)3-2-4-19(22)28/h2-4,11-12,15-16H,5-10,13-14H2,1H3
• InChIKey: HNXCOAZFFVLXQS-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 90.58 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.42
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]pyrazine-2-carboxylate?

The IUPAC name of methyl 5-[2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]pyrazine-2-carboxylate (CID 135373696) is methyl 5-[2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]pyrazine-2-carboxylate.

What is the SMILES notation for methyl 5-[2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]pyrazine-2-carboxylate?

The canonical SMILES for methyl 5-[2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]pyrazine-2-carboxylate is COC(=O)c1cnc(N2CCC3(CC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C3)C2)cn1.

What is the InChIKey of methyl 5-[2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]pyrazine-2-carboxylate?

The InChIKey is HNXCOAZFFVLXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O4/c1-34-25(33)20-11-30-21(12-29-20)32-8-7-26(14-32)9-16(10-26)35-13-17-23(31-36-24(17)15-5-6-15)22-18(27)3-2-4-19(22)28/h2-4,11-12,15-16H,5-10,13-14H2,1H3.

What are the key properties of methyl 5-[2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]pyrazine-2-carboxylate?

methyl 5-[2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]pyrazine-2-carboxylate has a molecular weight of 529.42 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 135373696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).