(1S)-1-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethanol

C17H23FN4O2 — CID 100858302

About (1S)-1-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethanol

(1S)-1-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethanol (PubChem CID 100858302) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethanol.

Molecular Properties

• Compound Name: (1S)-1-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethanol
• PubChem CID: 100858302
• Molecular Formula: C17H23FN4O2
• Molecular Weight: 334.40 g/mol
• Exact Mass: 334.18
• IUPAC Name: (1S)-1-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethanol
• SMILES: Cc1nc(CN(C)[C@H]2CCN(C[C@@H](O)c3ccc(F)cc3)C2)no1
• InChI: InChI=1S/C17H23FN4O2/c1-12-19-17(20-24-12)11-21(2)15-7-8-22(9-15)10-16(23)13-3-5-14(18)6-4-13/h3-6,15-16,23H,7-11H2,1-2H3/t15-,16+/m0/s1
• InChIKey: SVAMFXDIRFXWHW-JKSUJKDBSA-N
• XLogP: 1.76
• TPSA: 65.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.40
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethanol?

The IUPAC name of (1S)-1-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethanol (CID 100858302) is (1S)-1-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethanol.

What is the SMILES notation for (1S)-1-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethanol?

The canonical SMILES for (1S)-1-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethanol is Cc1nc(CN(C)[C@H]2CCN(C[C@@H](O)c3ccc(F)cc3)C2)no1.

What is the InChIKey of (1S)-1-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethanol?

The InChIKey is SVAMFXDIRFXWHW-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-12-19-17(20-24-12)11-21(2)15-7-8-22(9-15)10-16(23)13-3-5-14(18)6-4-13/h3-6,15-16,23H,7-11H2,1-2H3/t15-,16+/m0/s1.

What are the key properties of (1S)-1-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethanol?

(1S)-1-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethanol has a molecular weight of 334.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 100858302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).