(3R,5S)-1-(cyclohexylmethyl)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

C20H26FN3O2 — CID 26743772

About (3R,5S)-1-(cyclohexylmethyl)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

(3R,5S)-1-(cyclohexylmethyl)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 26743772) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is (3R,5S)-1-(cyclohexylmethyl)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: (3R,5S)-1-(cyclohexylmethyl)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
• PubChem CID: 26743772
• Molecular Formula: C20H26FN3O2
• Molecular Weight: 359.45 g/mol
• Exact Mass: 359.20
• IUPAC Name: (3R,5S)-1-(cyclohexylmethyl)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
• SMILES: Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3CC3CCCCC3)n2)cc1F
• InChI: InChI=1S/C20H26FN3O2/c1-13-7-8-15(9-17(13)21)19-22-20(26-23-19)18-10-16(25)12-24(18)11-14-5-3-2-4-6-14/h7-9,14,16,18,25H,2-6,10-12H2,1H3/t16-,18+/m1/s1
• InChIKey: NEWHUAQVOMGPMG-AEFFLSMTSA-N
• XLogP: 3.87
• TPSA: 62.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.45
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(cyclohexylmethyl)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?

The IUPAC name of (3R,5S)-1-(cyclohexylmethyl)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 26743772) is (3R,5S)-1-(cyclohexylmethyl)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

What is the SMILES notation for (3R,5S)-1-(cyclohexylmethyl)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?

The canonical SMILES for (3R,5S)-1-(cyclohexylmethyl)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3CC3CCCCC3)n2)cc1F.

What is the InChIKey of (3R,5S)-1-(cyclohexylmethyl)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?

The InChIKey is NEWHUAQVOMGPMG-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-13-7-8-15(9-17(13)21)19-22-20(26-23-19)18-10-16(25)12-24(18)11-14-5-3-2-4-6-14/h7-9,14,16,18,25H,2-6,10-12H2,1H3/t16-,18+/m1/s1.

What are the key properties of (3R,5S)-1-(cyclohexylmethyl)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?

(3R,5S)-1-(cyclohexylmethyl)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 359.45 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5S)-1-(cyclohexylmethyl)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 26743772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).