(3S,5S)-5-[[4-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-2-yl]piperazin-1-yl]methyl]-3-(furo[2,3-d]pyrimidin-6-ylmethyl)oxolan-2-one;N-(2,2,2-trifluoroethyl)formamide

C31H34F4N6O5 — CID 142065715

About (3S,5S)-5-[[4-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-2-yl]piperazin-1-yl]methyl]-3-(furo[2,3-d]pyrimidin-6-ylmethyl)oxolan-2-one;N-(2,2,2-trifluoroethyl)formamide

(3S,5S)-5-[[4-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-2-yl]piperazin-1-yl]methyl]-3-(furo[2,3-d]pyrimidin-6-ylmethyl)oxolan-2-one;N-(2,2,2-trifluoroethyl)formamide (PubChem CID 142065715) has the molecular formula C31H34F4N6O5 and a molecular weight of 646.64 g/mol. Its IUPAC name is (3S,5S)-5-[[4-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-2-yl]piperazin-1-yl]methyl]-3-(furo[2,3-d]pyrimidin-6-ylmethyl)oxolan-2-one;N-(2,2,2-trifluoroethyl)formamide.

Molecular Properties

• Compound Name: (3S,5S)-5-[[4-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-2-yl]piperazin-1-yl]methyl]-3-(furo[2,3-d]pyrimidin-6-ylmethyl)oxolan-2-one;N-(2,2,2-trifluoroethyl)formamide
• PubChem CID: 142065715
• Molecular Formula: C31H34F4N6O5
• Molecular Weight: 646.64 g/mol
• Exact Mass: 646.25
• IUPAC Name: (3S,5S)-5-[[4-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-2-yl]piperazin-1-yl]methyl]-3-(furo[2,3-d]pyrimidin-6-ylmethyl)oxolan-2-one;N-(2,2,2-trifluoroethyl)formamide
• SMILES: CC(C)(c1ncc(-c2ccc(F)cc2)o1)N1CCN(C[C@@H]2C[C@@H](Cc3cc4cncnc4o3)C(=O)O2)CC1.O=CNCC(F)(F)F
• InChI: InChI=1S/C28H30FN5O4.C3H4F3NO/c1-28(2,27-31-15-24(38-27)18-3-5-21(29)6-4-18)34-9-7-33(8-10-34)16-23-12-19(26(35)37-23)11-22-13-20-14-30-17-32-25(20)36-22;4-3(5,6)1-7-2-8/h3-6,13-15,17,19,23H,7-12,16H2,1-2H3;2H,1H2,(H,7,8)/t19-,23+;/m1./s1
• InChIKey: NVJWIJIWBPRIEQ-GZAZMHIXSA-N
• XLogP: 4.34
• TPSA: 126.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	646.64
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[[4-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-2-yl]piperazin-1-yl]methyl]-3-(furo[2,3-d]pyrimidin-6-ylmethyl)oxolan-2-one;N-(2,2,2-trifluoroethyl)formamide?

The IUPAC name of (3S,5S)-5-[[4-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-2-yl]piperazin-1-yl]methyl]-3-(furo[2,3-d]pyrimidin-6-ylmethyl)oxolan-2-one;N-(2,2,2-trifluoroethyl)formamide (CID 142065715) is (3S,5S)-5-[[4-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-2-yl]piperazin-1-yl]methyl]-3-(furo[2,3-d]pyrimidin-6-ylmethyl)oxolan-2-one;N-(2,2,2-trifluoroethyl)formamide.

What is the SMILES notation for (3S,5S)-5-[[4-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-2-yl]piperazin-1-yl]methyl]-3-(furo[2,3-d]pyrimidin-6-ylmethyl)oxolan-2-one;N-(2,2,2-trifluoroethyl)formamide?

The canonical SMILES for (3S,5S)-5-[[4-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-2-yl]piperazin-1-yl]methyl]-3-(furo[2,3-d]pyrimidin-6-ylmethyl)oxolan-2-one;N-(2,2,2-trifluoroethyl)formamide is CC(C)(c1ncc(-c2ccc(F)cc2)o1)N1CCN(C[C@@H]2C[C@@H](Cc3cc4cncnc4o3)C(=O)O2)CC1.O=CNCC(F)(F)F.

What is the InChIKey of (3S,5S)-5-[[4-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-2-yl]piperazin-1-yl]methyl]-3-(furo[2,3-d]pyrimidin-6-ylmethyl)oxolan-2-one;N-(2,2,2-trifluoroethyl)formamide?

The InChIKey is NVJWIJIWBPRIEQ-GZAZMHIXSA-N. The full InChI is InChI=1S/C28H30FN5O4.C3H4F3NO/c1-28(2,27-31-15-24(38-27)18-3-5-21(29)6-4-18)34-9-7-33(8-10-34)16-23-12-19(26(35)37-23)11-22-13-20-14-30-17-32-25(20)36-22;4-3(5,6)1-7-2-8/h3-6,13-15,17,19,23H,7-12,16H2,1-2H3;2H,1H2,(H,7,8)/t19-,23+;/m1./s1.

What are the key properties of (3S,5S)-5-[[4-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-2-yl]piperazin-1-yl]methyl]-3-(furo[2,3-d]pyrimidin-6-ylmethyl)oxolan-2-one;N-(2,2,2-trifluoroethyl)formamide?

(3S,5S)-5-[[4-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-2-yl]piperazin-1-yl]methyl]-3-(furo[2,3-d]pyrimidin-6-ylmethyl)oxolan-2-one;N-(2,2,2-trifluoroethyl)formamide has a molecular weight of 646.64 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5S)-5-[[4-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-2-yl]piperazin-1-yl]methyl]-3-(furo[2,3-d]pyrimidin-6-ylmethyl)oxolan-2-one;N-(2,2,2-trifluoroethyl)formamide is sourced from PubChem (CID 142065715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).