4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol

C24H34FNO3 — CID 93193997

About 4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol

4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol (PubChem CID 93193997) has the molecular formula C24H34FNO3 and a molecular weight of 403.54 g/mol. Its IUPAC name is 4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol.

Molecular Properties

• Compound Name: 4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol
• PubChem CID: 93193997
• Molecular Formula: C24H34FNO3
• Molecular Weight: 403.54 g/mol
• Exact Mass: 403.25
• IUPAC Name: 4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol
• SMILES: CCCC(O)(CCC)c1ccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)o1
• InChI: InChI=1S/C24H34FNO3/c1-3-12-24(27,13-4-2)23-11-10-22(29-23)18-26(17-21-9-6-14-28-21)16-19-7-5-8-20(25)15-19/h5,7-8,10-11,15,21,27H,3-4,6,9,12-14,16-18H2,1-2H3/t21-/m0/s1
• InChIKey: DPSJQDGJPGQDIH-NRFANRHFSA-N
• XLogP: 5.39
• TPSA: 45.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.54
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol?

The IUPAC name of 4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol (CID 93193997) is 4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol.

What is the SMILES notation for 4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol?

The canonical SMILES for 4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol is CCCC(O)(CCC)c1ccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)o1.

What is the InChIKey of 4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol?

The InChIKey is DPSJQDGJPGQDIH-NRFANRHFSA-N. The full InChI is InChI=1S/C24H34FNO3/c1-3-12-24(27,13-4-2)23-11-10-22(29-23)18-26(17-21-9-6-14-28-21)16-19-7-5-8-20(25)15-19/h5,7-8,10-11,15,21,27H,3-4,6,9,12-14,16-18H2,1-2H3/t21-/m0/s1.

What are the key properties of 4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol?

4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol has a molecular weight of 403.54 g/mol, XLogP of 5.39, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol is sourced from PubChem (CID 93193997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).