(5S)-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-5-propyl-1,2,4-oxadiazole

C30H35N3O2 — CID 100988999

About (5S)-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-5-propyl-1,2,4-oxadiazole

(5S)-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-5-propyl-1,2,4-oxadiazole (PubChem CID 100988999) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is (5S)-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-5-propyl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: (5S)-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-5-propyl-1,2,4-oxadiazole
• PubChem CID: 100988999
• Molecular Formula: C30H35N3O2
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.27
• IUPAC Name: (5S)-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-5-propyl-1,2,4-oxadiazole
• SMILES: CCC[C@]1(C)ON=C(c2ccccc2)N1N1CCC[C@H]1C(OC)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H35N3O2/c1-4-22-29(2)33(28(31-35-29)24-15-8-5-9-16-24)32-23-14-21-27(32)30(34-3,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20,27H,4,14,21-23H2,1-3H3/t27-,29-/m0/s1
• InChIKey: ZOEQDZKVIYAWBL-YTMVLYRLSA-N
• XLogP: 6.17
• TPSA: 37.30 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.63
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5S)-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-5-propyl-1,2,4-oxadiazole?

The IUPAC name of (5S)-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-5-propyl-1,2,4-oxadiazole (CID 100988999) is (5S)-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-5-propyl-1,2,4-oxadiazole.

What is the SMILES notation for (5S)-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-5-propyl-1,2,4-oxadiazole?

The canonical SMILES for (5S)-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-5-propyl-1,2,4-oxadiazole is CCC[C@]1(C)ON=C(c2ccccc2)N1N1CCC[C@H]1C(OC)(c1ccccc1)c1ccccc1.

What is the InChIKey of (5S)-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-5-propyl-1,2,4-oxadiazole?

The InChIKey is ZOEQDZKVIYAWBL-YTMVLYRLSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-4-22-29(2)33(28(31-35-29)24-15-8-5-9-16-24)32-23-14-21-27(32)30(34-3,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20,27H,4,14,21-23H2,1-3H3/t27-,29-/m0/s1.

What are the key properties of (5S)-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-5-propyl-1,2,4-oxadiazole?

(5S)-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-5-propyl-1,2,4-oxadiazole has a molecular weight of 469.63 g/mol, XLogP of 6.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-5-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 100988999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).