methyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-6-carboxylate

C32H35N3O5 — CID 134528889

About methyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-6-carboxylate

methyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-6-carboxylate (PubChem CID 134528889) has the molecular formula C32H35N3O5 and a molecular weight of 541.65 g/mol. Its IUPAC name is methyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-6-carboxylate.

Molecular Properties

• Compound Name: methyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-6-carboxylate
• PubChem CID: 134528889
• Molecular Formula: C32H35N3O5
• Molecular Weight: 541.65 g/mol
• Exact Mass: 541.26
• IUPAC Name: methyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-6-carboxylate
• SMILES: COC(=O)c1ccc2c(c1)N(C(=O)N1C3CCC1CC(OCc1c(-c4ccccc4C)noc1C1CC1)C3)CC2
• InChI: InChI=1S/C32H35N3O5/c1-19-5-3-4-6-26(19)29-27(30(40-33-29)21-8-9-21)18-39-25-16-23-11-12-24(17-25)35(23)32(37)34-14-13-20-7-10-22(15-28(20)34)31(36)38-2/h3-7,10,15,21,23-25H,8-9,11-14,16-18H2,1-2H3
• InChIKey: LHRVCZPKZYDTAZ-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 85.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.65
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-6-carboxylate?

The IUPAC name of methyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-6-carboxylate (CID 134528889) is methyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-6-carboxylate.

What is the SMILES notation for methyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-6-carboxylate?

The canonical SMILES for methyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-6-carboxylate is COC(=O)c1ccc2c(c1)N(C(=O)N1C3CCC1CC(OCc1c(-c4ccccc4C)noc1C1CC1)C3)CC2.

What is the InChIKey of methyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-6-carboxylate?

The InChIKey is LHRVCZPKZYDTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O5/c1-19-5-3-4-6-26(19)29-27(30(40-33-29)21-8-9-21)18-39-25-16-23-11-12-24(17-25)35(23)32(37)34-14-13-20-7-10-22(15-28(20)34)31(36)38-2/h3-7,10,15,21,23-25H,8-9,11-14,16-18H2,1-2H3.

What are the key properties of methyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-6-carboxylate?

methyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-6-carboxylate has a molecular weight of 541.65 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]-2,3-dihydroindole-6-carboxylate is sourced from PubChem (CID 134528889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).