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

C26H34N4O3 — CID 157026581

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

2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(3-methyl-4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 157026581) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(3-methyl-4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(3-methyl-4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
• PubChem CID: 157026581
• Molecular Formula: C26H34N4O3
• Molecular Weight: 450.58 g/mol
• Exact Mass: 450.26
• IUPAC Name: 2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(3-methyl-4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
• SMILES: Cc1cc([C@](O)(c2cncc(-c3noc(C(C)(C)O)n3)c2)C2(C)CN(C)C2)ccc1C(C)C
• InChI: InChI=1S/C26H34N4O3/c1-16(2)21-9-8-19(10-17(21)3)26(32,25(6)14-30(7)15-25)20-11-18(12-27-13-20)22-28-23(33-29-22)24(4,5)31/h8-13,16,31-32H,14-15H2,1-7H3/t26-/m0/s1
• InChIKey: LSQQGQIJISFJET-SANMLTNESA-N
• XLogP: 3.98
• TPSA: 95.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.58
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(3-methyl-4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 157026581) is 2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(3-methyl-4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol.

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

The canonical SMILES for 2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(3-methyl-4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol is Cc1cc([C@](O)(c2cncc(-c3noc(C(C)(C)O)n3)c2)C2(C)CN(C)C2)ccc1C(C)C.

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

The InChIKey is LSQQGQIJISFJET-SANMLTNESA-N. The full InChI is InChI=1S/C26H34N4O3/c1-16(2)21-9-8-19(10-17(21)3)26(32,25(6)14-30(7)15-25)20-11-18(12-27-13-20)22-28-23(33-29-22)24(4,5)31/h8-13,16,31-32H,14-15H2,1-7H3/t26-/m0/s1.

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

2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(3-methyl-4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 450.58 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(3-methyl-4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 157026581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).