tert-butyl 4-[(2S)-2-cyclopropyl-2-[(5-phenyl-1,3-oxazol-2-yl)amino]ethyl]piperidine-1-carboxylate

C24H33N3O3 — CID 142509390

About tert-butyl 4-[(2S)-2-cyclopropyl-2-[(5-phenyl-1,3-oxazol-2-yl)amino]ethyl]piperidine-1-carboxylate

tert-butyl 4-[(2S)-2-cyclopropyl-2-[(5-phenyl-1,3-oxazol-2-yl)amino]ethyl]piperidine-1-carboxylate (PubChem CID 142509390) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-2-cyclopropyl-2-[(5-phenyl-1,3-oxazol-2-yl)amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[(2S)-2-cyclopropyl-2-[(5-phenyl-1,3-oxazol-2-yl)amino]ethyl]piperidine-1-carboxylate
• PubChem CID: 142509390
• Molecular Formula: C24H33N3O3
• Molecular Weight: 411.55 g/mol
• Exact Mass: 411.25
• IUPAC Name: tert-butyl 4-[(2S)-2-cyclopropyl-2-[(5-phenyl-1,3-oxazol-2-yl)amino]ethyl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(C[C@H](Nc2ncc(-c3ccccc3)o2)C2CC2)CC1
• InChI: InChI=1S/C24H33N3O3/c1-24(2,3)30-23(28)27-13-11-17(12-14-27)15-20(18-9-10-18)26-22-25-16-21(29-22)19-7-5-4-6-8-19/h4-8,16-18,20H,9-15H2,1-3H3,(H,25,26)/t20-/m0/s1
• InChIKey: MRSQDKVMKLXLBW-FQEVSTJZSA-N
• XLogP: 5.57
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.55
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S)-2-cyclopropyl-2-[(5-phenyl-1,3-oxazol-2-yl)amino]ethyl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[(2S)-2-cyclopropyl-2-[(5-phenyl-1,3-oxazol-2-yl)amino]ethyl]piperidine-1-carboxylate (CID 142509390) is tert-butyl 4-[(2S)-2-cyclopropyl-2-[(5-phenyl-1,3-oxazol-2-yl)amino]ethyl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[(2S)-2-cyclopropyl-2-[(5-phenyl-1,3-oxazol-2-yl)amino]ethyl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[(2S)-2-cyclopropyl-2-[(5-phenyl-1,3-oxazol-2-yl)amino]ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C[C@H](Nc2ncc(-c3ccccc3)o2)C2CC2)CC1.

What is the InChIKey of tert-butyl 4-[(2S)-2-cyclopropyl-2-[(5-phenyl-1,3-oxazol-2-yl)amino]ethyl]piperidine-1-carboxylate?

The InChIKey is MRSQDKVMKLXLBW-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-24(2,3)30-23(28)27-13-11-17(12-14-27)15-20(18-9-10-18)26-22-25-16-21(29-22)19-7-5-4-6-8-19/h4-8,16-18,20H,9-15H2,1-3H3,(H,25,26)/t20-/m0/s1.

What are the key properties of tert-butyl 4-[(2S)-2-cyclopropyl-2-[(5-phenyl-1,3-oxazol-2-yl)amino]ethyl]piperidine-1-carboxylate?

tert-butyl 4-[(2S)-2-cyclopropyl-2-[(5-phenyl-1,3-oxazol-2-yl)amino]ethyl]piperidine-1-carboxylate has a molecular weight of 411.55 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[(2S)-2-cyclopropyl-2-[(5-phenyl-1,3-oxazol-2-yl)amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 142509390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).