(2S)-1-[[(2S,4S)-4-(furo[2,3-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-4-[2-(5-phenyl-1,3-oxazol-2-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

C32H34F3N5O5 — CID 59108579

About (2S)-1-[[(2S,4S)-4-(furo[2,3-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-4-[2-(5-phenyl-1,3-oxazol-2-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

(2S)-1-[[(2S,4S)-4-(furo[2,3-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-4-[2-(5-phenyl-1,3-oxazol-2-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (PubChem CID 59108579) has the molecular formula C32H34F3N5O5 and a molecular weight of 625.65 g/mol. Its IUPAC name is (2S)-1-[[(2S,4S)-4-(furo[2,3-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-4-[2-(5-phenyl-1,3-oxazol-2-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[[(2S,4S)-4-(furo[2,3-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-4-[2-(5-phenyl-1,3-oxazol-2-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
• PubChem CID: 59108579
• Molecular Formula: C32H34F3N5O5
• Molecular Weight: 625.65 g/mol
• Exact Mass: 625.25
• IUPAC Name: (2S)-1-[[(2S,4S)-4-(furo[2,3-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-4-[2-(5-phenyl-1,3-oxazol-2-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
• SMILES: CC(C)(c1ncc(-c2ccccc2)o1)N1CCN(C[C@@H]2C[C@@H](Cc3cc4ccncc4o3)C(=O)O2)[C@H](C(=O)NCC(F)(F)F)C1
• InChI: InChI=1S/C32H34F3N5O5/c1-31(2,30-37-16-27(45-30)20-6-4-3-5-7-20)40-11-10-39(25(18-40)28(41)38-19-32(33,34)35)17-24-14-22(29(42)44-24)13-23-12-21-8-9-36-15-26(21)43-23/h3-9,12,15-16,22,24-25H,10-11,13-14,17-19H2,1-2H3,(H,38,41)/t22-,24+,25+/m1/s1
• InChIKey: ZMHNJYGJWBLKDV-VJTSUQJLSA-N
• XLogP: 4.56
• TPSA: 113.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.65
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(2S,4S)-4-(furo[2,3-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-4-[2-(5-phenyl-1,3-oxazol-2-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?

The IUPAC name of (2S)-1-[[(2S,4S)-4-(furo[2,3-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-4-[2-(5-phenyl-1,3-oxazol-2-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (CID 59108579) is (2S)-1-[[(2S,4S)-4-(furo[2,3-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-4-[2-(5-phenyl-1,3-oxazol-2-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.

What is the SMILES notation for (2S)-1-[[(2S,4S)-4-(furo[2,3-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-4-[2-(5-phenyl-1,3-oxazol-2-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?

The canonical SMILES for (2S)-1-[[(2S,4S)-4-(furo[2,3-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-4-[2-(5-phenyl-1,3-oxazol-2-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is CC(C)(c1ncc(-c2ccccc2)o1)N1CCN(C[C@@H]2C[C@@H](Cc3cc4ccncc4o3)C(=O)O2)[C@H](C(=O)NCC(F)(F)F)C1.

What is the InChIKey of (2S)-1-[[(2S,4S)-4-(furo[2,3-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-4-[2-(5-phenyl-1,3-oxazol-2-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?

The InChIKey is ZMHNJYGJWBLKDV-VJTSUQJLSA-N. The full InChI is InChI=1S/C32H34F3N5O5/c1-31(2,30-37-16-27(45-30)20-6-4-3-5-7-20)40-11-10-39(25(18-40)28(41)38-19-32(33,34)35)17-24-14-22(29(42)44-24)13-23-12-21-8-9-36-15-26(21)43-23/h3-9,12,15-16,22,24-25H,10-11,13-14,17-19H2,1-2H3,(H,38,41)/t22-,24+,25+/m1/s1.

What are the key properties of (2S)-1-[[(2S,4S)-4-(furo[2,3-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-4-[2-(5-phenyl-1,3-oxazol-2-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?

(2S)-1-[[(2S,4S)-4-(furo[2,3-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-4-[2-(5-phenyl-1,3-oxazol-2-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide has a molecular weight of 625.65 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[[(2S,4S)-4-(furo[2,3-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-4-[2-(5-phenyl-1,3-oxazol-2-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is sourced from PubChem (CID 59108579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).