(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol

C₂₇H₃₄N₄O₃ — CID 157025987

About (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol

(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol (PubChem CID 157025987) has the molecular formula C₂₇H₃₄N₄O₃ and a molecular weight of 462.59 g/mol. Its IUPAC name is (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol.

Molecular Properties

• Compound Name: (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
• PubChem CID: 157025987
• Molecular Formula: C₂₇H₃₄N₄O₃
• Molecular Weight: 462.59 g/mol
• Exact Mass: 462.26
• IUPAC Name: (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
• SMILES: CC(C)c1ccc([C@](O)(c2cncc(-c3noc(CC4CCCO4)n3)c2)C2(C)CN(C)C2)cc1
• InChI: InChI=1S/C27H34N4O3/c1-18(2)19-7-9-21(10-8-19)27(32,26(3)16-31(4)17-26)22-12-20(14-28-15-22)25-29-24(34-30-25)13-23-6-5-11-33-23/h7-10,12,14-15,18,23,32H,5-6,11,13,16-17H2,1-4H3/t23?,27-/m0/s1
• InChIKey: BKLQMADMSUZMCO-JVHFYALYSA-N
• XLogP: 4.16
• TPSA: 84.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.59
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol (CID 157025987) is (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol.

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

The canonical SMILES for (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc([C@](O)(c2cncc(-c3noc(CC4CCCO4)n3)c2)C2(C)CN(C)C2)cc1.

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

The InChIKey is BKLQMADMSUZMCO-JVHFYALYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-18(2)19-7-9-21(10-8-19)27(32,26(3)16-31(4)17-26)22-12-20(14-28-15-22)25-29-24(34-30-25)13-23-6-5-11-33-23/h7-10,12,14-15,18,23,32H,5-6,11,13,16-17H2,1-4H3/t23?,27-/m0/s1.

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

(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol has a molecular weight of 462.59 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 157025987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157025987 — identifiers, structure, computed properties (public domain)

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