tert-butyl N-[1-[[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]methyl]cyclopropyl]carbamate

C33H39N5O4 — CID 167296493

About tert-butyl N-[1-[[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]methyl]cyclopropyl]carbamate

tert-butyl N-[1-[[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]methyl]cyclopropyl]carbamate (PubChem CID 167296493) has the molecular formula C33H39N5O4 and a molecular weight of 569.71 g/mol. Its IUPAC name is tert-butyl N-[1-[[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]methyl]cyclopropyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]methyl]cyclopropyl]carbamate
• PubChem CID: 167296493
• Molecular Formula: C33H39N5O4
• Molecular Weight: 569.71 g/mol
• Exact Mass: 569.30
• IUPAC Name: tert-butyl N-[1-[[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]methyl]cyclopropyl]carbamate
• SMILES: CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC43CCN(CC4(NC(=O)OC(C)(C)C)CC4)C3)no2)cc1C#N
• InChI: InChI=1S/C33H39N5O4/c1-21(2)40-27-10-9-22(17-23(27)18-34)29-35-28(37-42-29)25-7-6-8-26-24(25)11-12-32(26)15-16-38(19-32)20-33(13-14-33)36-30(39)41-31(3,4)5/h6-10,17,21H,11-16,19-20H2,1-5H3,(H,36,39)
• InChIKey: VWPQBUGHBKQVFW-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 113.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.71
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]methyl]cyclopropyl]carbamate?

The IUPAC name of tert-butyl N-[1-[[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]methyl]cyclopropyl]carbamate (CID 167296493) is tert-butyl N-[1-[[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]methyl]cyclopropyl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]methyl]cyclopropyl]carbamate?

The canonical SMILES for tert-butyl N-[1-[[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]methyl]cyclopropyl]carbamate is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC43CCN(CC4(NC(=O)OC(C)(C)C)CC4)C3)no2)cc1C#N.

What is the InChIKey of tert-butyl N-[1-[[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]methyl]cyclopropyl]carbamate?

The InChIKey is VWPQBUGHBKQVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O4/c1-21(2)40-27-10-9-22(17-23(27)18-34)29-35-28(37-42-29)25-7-6-8-26-24(25)11-12-32(26)15-16-38(19-32)20-33(13-14-33)36-30(39)41-31(3,4)5/h6-10,17,21H,11-16,19-20H2,1-5H3,(H,36,39).

What are the key properties of tert-butyl N-[1-[[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]methyl]cyclopropyl]carbamate?

tert-butyl N-[1-[[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]methyl]cyclopropyl]carbamate has a molecular weight of 569.71 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]methyl]cyclopropyl]carbamate is sourced from PubChem (CID 167296493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).