tert-butyl N-[[1-[5-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate

C32H46N4O5 — CID 155266270

About tert-butyl N-[[1-[5-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate

tert-butyl N-[[1-[5-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate (PubChem CID 155266270) has the molecular formula C32H46N4O5 and a molecular weight of 566.74 g/mol. Its IUPAC name is tert-butyl N-[[1-[5-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[1-[5-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
• PubChem CID: 155266270
• Molecular Formula: C32H46N4O5
• Molecular Weight: 566.74 g/mol
• Exact Mass: 566.35
• IUPAC Name: tert-butyl N-[[1-[5-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1CCC(C)(c2nc(C3(CN(C(=O)OC(C)(C)C)[C@@H]4C[C@H]4c4ccccc4)CC3)no2)CC1
• InChI: InChI=1S/C32H46N4O5/c1-29(2,3)39-27(37)33-22-13-15-31(7,16-14-22)26-34-25(35-41-26)32(17-18-32)20-36(28(38)40-30(4,5)6)24-19-23(24)21-11-9-8-10-12-21/h8-12,22-24H,13-20H2,1-7H3,(H,33,37)/t22?,23-,24+,31?/m0/s1
• InChIKey: RCBFEUPKRPOENW-XKXWPLOWSA-N
• XLogP: 6.62
• TPSA: 106.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.74
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[5-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?

The IUPAC name of tert-butyl N-[[1-[5-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate (CID 155266270) is tert-butyl N-[[1-[5-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate.

What is the SMILES notation for tert-butyl N-[[1-[5-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?

The canonical SMILES for tert-butyl N-[[1-[5-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CCC(C)(c2nc(C3(CN(C(=O)OC(C)(C)C)[C@@H]4C[C@H]4c4ccccc4)CC3)no2)CC1.

What is the InChIKey of tert-butyl N-[[1-[5-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?

The InChIKey is RCBFEUPKRPOENW-XKXWPLOWSA-N. The full InChI is InChI=1S/C32H46N4O5/c1-29(2,3)39-27(37)33-22-13-15-31(7,16-14-22)26-34-25(35-41-26)32(17-18-32)20-36(28(38)40-30(4,5)6)24-19-23(24)21-11-9-8-10-12-21/h8-12,22-24H,13-20H2,1-7H3,(H,33,37)/t22?,23-,24+,31?/m0/s1.

What are the key properties of tert-butyl N-[[1-[5-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?

tert-butyl N-[[1-[5-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate has a molecular weight of 566.74 g/mol, XLogP of 6.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[1-[5-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate is sourced from PubChem (CID 155266270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).