ethyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-5-carboxylate

C33H37N3O5 — CID 134528891

About ethyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-5-carboxylate

ethyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-5-carboxylate (PubChem CID 134528891) has the molecular formula C33H37N3O5 and a molecular weight of 555.68 g/mol. Its IUPAC name is ethyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-5-carboxylate
• PubChem CID: 134528891
• Molecular Formula: C33H37N3O5
• Molecular Weight: 555.68 g/mol
• Exact Mass: 555.27
• IUPAC Name: ethyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-5-carboxylate
• SMILES: CCOC(=O)c1ccc2c(c1)CCN2C(=O)N1C2CCC1CC(OCc1c(-c3ccccc3C)noc1C1CC1)C2
• InChI: InChI=1S/C33H37N3O5/c1-3-39-32(37)23-10-13-29-22(16-23)14-15-35(29)33(38)36-24-11-12-25(36)18-26(17-24)40-19-28-30(27-7-5-4-6-20(27)2)34-41-31(28)21-8-9-21/h4-7,10,13,16,21,24-26H,3,8-9,11-12,14-15,17-19H2,1-2H3
• InChIKey: ZECFOYJXKWQGDA-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 85.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.68
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-5-carboxylate?

The IUPAC name of ethyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-5-carboxylate (CID 134528891) is ethyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-5-carboxylate.

What is the SMILES notation for ethyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-5-carboxylate?

The canonical SMILES for ethyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-5-carboxylate is CCOC(=O)c1ccc2c(c1)CCN2C(=O)N1C2CCC1CC(OCc1c(-c3ccccc3C)noc1C1CC1)C2.

What is the InChIKey of ethyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-5-carboxylate?

The InChIKey is ZECFOYJXKWQGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O5/c1-3-39-32(37)23-10-13-29-22(16-23)14-15-35(29)33(38)36-24-11-12-25(36)18-26(17-24)40-19-28-30(27-7-5-4-6-20(27)2)34-41-31(28)21-8-9-21/h4-7,10,13,16,21,24-26H,3,8-9,11-12,14-15,17-19H2,1-2H3.

What are the key properties of ethyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-5-carboxylate?

ethyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-5-carboxylate has a molecular weight of 555.68 g/mol, XLogP of 6.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 134528891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).