tert-butyl N-[[(3S)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

C26H36FN3O4 — CID 51963418

About tert-butyl N-[[(3S)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

tert-butyl N-[[(3S)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (PubChem CID 51963418) has the molecular formula C26H36FN3O4 and a molecular weight of 473.59 g/mol. Its IUPAC name is tert-butyl N-[[(3S)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[(3S)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
• PubChem CID: 51963418
• Molecular Formula: C26H36FN3O4
• Molecular Weight: 473.59 g/mol
• Exact Mass: 473.27
• IUPAC Name: tert-butyl N-[[(3S)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
• SMILES: CC(C)N(C[C@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3F)o2)C1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C26H36FN3O4/c1-18(2)30(25(32)34-26(3,4)5)17-19-9-8-14-29(16-19)24(31)13-12-23-28-15-22(33-23)20-10-6-7-11-21(20)27/h6-7,10-11,15,18-19H,8-9,12-14,16-17H2,1-5H3/t19-/m0/s1
• InChIKey: BXDGJXUIPRIWSS-IBGZPJMESA-N
• XLogP: 5.30
• TPSA: 75.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.59
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3S)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?

The IUPAC name of tert-butyl N-[[(3S)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (CID 51963418) is tert-butyl N-[[(3S)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.

What is the SMILES notation for tert-butyl N-[[(3S)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?

The canonical SMILES for tert-butyl N-[[(3S)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is CC(C)N(C[C@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3F)o2)C1)C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[[(3S)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?

The InChIKey is BXDGJXUIPRIWSS-IBGZPJMESA-N. The full InChI is InChI=1S/C26H36FN3O4/c1-18(2)30(25(32)34-26(3,4)5)17-19-9-8-14-29(16-19)24(31)13-12-23-28-15-22(33-23)20-10-6-7-11-21(20)27/h6-7,10-11,15,18-19H,8-9,12-14,16-17H2,1-5H3/t19-/m0/s1.

What are the key properties of tert-butyl N-[[(3S)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?

tert-butyl N-[[(3S)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate has a molecular weight of 473.59 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[(3S)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 51963418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).