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

C32H33ClF3N5O5 — CID 59108589

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

(2S)-4-[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-2-yl]-1-[[(2S,4S)-4-(furo[3,2-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (PubChem CID 59108589) has the molecular formula C32H33ClF3N5O5 and a molecular weight of 660.09 g/mol. Its IUPAC name is (2S)-4-[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-2-yl]-1-[[(2S,4S)-4-(furo[3,2-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-4-[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-2-yl]-1-[[(2S,4S)-4-(furo[3,2-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
• PubChem CID: 59108589
• Molecular Formula: C32H33ClF3N5O5
• Molecular Weight: 660.09 g/mol
• Exact Mass: 659.21
• IUPAC Name: (2S)-4-[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-2-yl]-1-[[(2S,4S)-4-(furo[3,2-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
• SMILES: CC(C)(c1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C[C@@H]2C[C@@H](Cc3cc4cnccc4o3)C(=O)O2)[C@H](C(=O)NCC(F)(F)F)C1
• InChI: InChI=1S/C32H33ClF3N5O5/c1-31(2,30-38-15-27(46-30)19-3-5-22(33)6-4-19)41-10-9-40(25(17-41)28(42)39-18-32(34,35)36)16-24-12-20(29(43)45-24)11-23-13-21-14-37-8-7-26(21)44-23/h3-8,13-15,20,24-25H,9-12,16-18H2,1-2H3,(H,39,42)/t20-,24+,25+/m1/s1
• InChIKey: BURFDFRJQJSCKF-YNJKOYDBSA-N
• XLogP: 5.21
• TPSA: 113.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.09
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (2S)-4-[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-2-yl]-1-[[(2S,4S)-4-(furo[3,2-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (CID 59108589) is (2S)-4-[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-2-yl]-1-[[(2S,4S)-4-(furo[3,2-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.

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

The canonical SMILES for (2S)-4-[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-2-yl]-1-[[(2S,4S)-4-(furo[3,2-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is CC(C)(c1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C[C@@H]2C[C@@H](Cc3cc4cnccc4o3)C(=O)O2)[C@H](C(=O)NCC(F)(F)F)C1.

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

The InChIKey is BURFDFRJQJSCKF-YNJKOYDBSA-N. The full InChI is InChI=1S/C32H33ClF3N5O5/c1-31(2,30-38-15-27(46-30)19-3-5-22(33)6-4-19)41-10-9-40(25(17-41)28(42)39-18-32(34,35)36)16-24-12-20(29(43)45-24)11-23-13-21-14-37-8-7-26(21)44-23/h3-8,13-15,20,24-25H,9-12,16-18H2,1-2H3,(H,39,42)/t20-,24+,25+/m1/s1.

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

(2S)-4-[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-2-yl]-1-[[(2S,4S)-4-(furo[3,2-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide has a molecular weight of 660.09 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-2-yl]-1-[[(2S,4S)-4-(furo[3,2-c]pyridin-2-ylmethyl)-5-oxooxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is sourced from PubChem (CID 59108589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).