3-[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5-(4-propan-2-yloxybenzene-5-id-1-yl)-1,2,4-oxadiazole;yttrium

C22H23N2O2Y- — CID 58355033

About 3-[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5-(4-propan-2-yloxybenzene-5-id-1-yl)-1,2,4-oxadiazole;yttrium

3-[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5-(4-propan-2-yloxybenzene-5-id-1-yl)-1,2,4-oxadiazole;yttrium (PubChem CID 58355033) has the molecular formula C22H23N2O2Y- and a molecular weight of 436.34 g/mol. Its IUPAC name is 3-[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5-(4-propan-2-yloxybenzene-5-id-1-yl)-1,2,4-oxadiazole;yttrium.

Molecular Properties

• Compound Name: 3-[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5-(4-propan-2-yloxybenzene-5-id-1-yl)-1,2,4-oxadiazole;yttrium
• PubChem CID: 58355033
• Molecular Formula: C22H23N2O2Y-
• Molecular Weight: 436.34 g/mol
• Exact Mass: 436.08
• IUPAC Name: 3-[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5-(4-propan-2-yloxybenzene-5-id-1-yl)-1,2,4-oxadiazole;yttrium
• SMILES: CC(C)Oc1[c-]cc(-c2nc(-c3cccc4c3CCC[C@H]4C)no2)cc1.[Y]
• InChI: InChI=1S/C22H23N2O2.Y/c1-14(2)25-17-12-10-16(11-13-17)22-23-21(24-26-22)20-9-5-7-18-15(3)6-4-8-19(18)20;/h5,7,9-12,14-15H,4,6,8H2,1-3H3;/q-1;/t15-;/m1./s1
• InChIKey: CCOHDWYTPDBPJA-XFULWGLBSA-N
• XLogP: 5.43
• TPSA: 48.15 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.34
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5-(4-propan-2-yloxybenzene-5-id-1-yl)-1,2,4-oxadiazole;yttrium?

The IUPAC name of 3-[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5-(4-propan-2-yloxybenzene-5-id-1-yl)-1,2,4-oxadiazole;yttrium (CID 58355033) is 3-[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5-(4-propan-2-yloxybenzene-5-id-1-yl)-1,2,4-oxadiazole;yttrium.

What is the SMILES notation for 3-[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5-(4-propan-2-yloxybenzene-5-id-1-yl)-1,2,4-oxadiazole;yttrium?

The canonical SMILES for 3-[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5-(4-propan-2-yloxybenzene-5-id-1-yl)-1,2,4-oxadiazole;yttrium is CC(C)Oc1[c-]cc(-c2nc(-c3cccc4c3CCC[C@H]4C)no2)cc1.[Y].

What is the InChIKey of 3-[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5-(4-propan-2-yloxybenzene-5-id-1-yl)-1,2,4-oxadiazole;yttrium?

The InChIKey is CCOHDWYTPDBPJA-XFULWGLBSA-N. The full InChI is InChI=1S/C22H23N2O2.Y/c1-14(2)25-17-12-10-16(11-13-17)22-23-21(24-26-22)20-9-5-7-18-15(3)6-4-8-19(18)20;/h5,7,9-12,14-15H,4,6,8H2,1-3H3;/q-1;/t15-;/m1./s1.

What are the key properties of 3-[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5-(4-propan-2-yloxybenzene-5-id-1-yl)-1,2,4-oxadiazole;yttrium?

3-[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5-(4-propan-2-yloxybenzene-5-id-1-yl)-1,2,4-oxadiazole;yttrium has a molecular weight of 436.34 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5-(4-propan-2-yloxybenzene-5-id-1-yl)-1,2,4-oxadiazole;yttrium is sourced from PubChem (CID 58355033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).