1-[3-[5-[hydroxy-(3-methyl-1-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol

C28H38N4O3 — CID 175382594

About 1-[3-[5-[hydroxy-(3-methyl-1-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol

1-[3-[5-[hydroxy-(3-methyl-1-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol (PubChem CID 175382594) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is 1-[3-[5-[hydroxy-(3-methyl-1-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[3-[5-[hydroxy-(3-methyl-1-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
• PubChem CID: 175382594
• Molecular Formula: C28H38N4O3
• Molecular Weight: 478.64 g/mol
• Exact Mass: 478.29
• IUPAC Name: 1-[3-[5-[hydroxy-(3-methyl-1-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
• SMILES: CC(C)c1ccc(C(O)(c2cncc(-c3noc(CC(C)(C)O)n3)c2)C2(C)CN(C(C)C)C2)cc1
• InChI: InChI=1S/C28H38N4O3/c1-18(2)20-8-10-22(11-9-20)28(34,27(7)16-32(17-27)19(3)4)23-12-21(14-29-15-23)25-30-24(35-31-25)13-26(5,6)33/h8-12,14-15,18-19,33-34H,13,16-17H2,1-7H3
• InChIKey: ZNHBAQNPOQCROR-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 95.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.64
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[hydroxy-(3-methyl-1-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?

The IUPAC name of 1-[3-[5-[hydroxy-(3-methyl-1-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol (CID 175382594) is 1-[3-[5-[hydroxy-(3-methyl-1-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol.

What is the SMILES notation for 1-[3-[5-[hydroxy-(3-methyl-1-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?

The canonical SMILES for 1-[3-[5-[hydroxy-(3-methyl-1-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol is CC(C)c1ccc(C(O)(c2cncc(-c3noc(CC(C)(C)O)n3)c2)C2(C)CN(C(C)C)C2)cc1.

What is the InChIKey of 1-[3-[5-[hydroxy-(3-methyl-1-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?

The InChIKey is ZNHBAQNPOQCROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O3/c1-18(2)20-8-10-22(11-9-20)28(34,27(7)16-32(17-27)19(3)4)23-12-21(14-29-15-23)25-30-24(35-31-25)13-26(5,6)33/h8-12,14-15,18-19,33-34H,13,16-17H2,1-7H3.

What are the key properties of 1-[3-[5-[hydroxy-(3-methyl-1-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?

1-[3-[5-[hydroxy-(3-methyl-1-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol has a molecular weight of 478.64 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[5-[hydroxy-(3-methyl-1-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 175382594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).