[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(5-oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy]azetidin-1-yl]methanone

C26H28N4O5 — CID 71226964

About [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(5-oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy]azetidin-1-yl]methanone

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(5-oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy]azetidin-1-yl]methanone (PubChem CID 71226964) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(5-oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(5-oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy]azetidin-1-yl]methanone
• PubChem CID: 71226964
• Molecular Formula: C26H28N4O5
• Molecular Weight: 476.53 g/mol
• Exact Mass: 476.21
• IUPAC Name: [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(5-oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy]azetidin-1-yl]methanone
• SMILES: COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CC6(CCCO6)C5)cc4)C3)o2)cc1
• InChI: InChI=1S/C26H28N4O5/c1-32-20-9-5-19(6-10-20)23-27-28-24(35-23)25(31)30-14-22(15-30)34-21-7-3-18(4-8-21)13-29-16-26(17-29)11-2-12-33-26/h3-10,22H,2,11-17H2,1H3
• InChIKey: FGJFPWDOUNOKFZ-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 90.16 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.53
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(5-oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy]azetidin-1-yl]methanone?

The IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(5-oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy]azetidin-1-yl]methanone (CID 71226964) is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(5-oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy]azetidin-1-yl]methanone.

What is the SMILES notation for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(5-oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy]azetidin-1-yl]methanone?

The canonical SMILES for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(5-oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy]azetidin-1-yl]methanone is COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CC6(CCCO6)C5)cc4)C3)o2)cc1.

What is the InChIKey of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(5-oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy]azetidin-1-yl]methanone?

The InChIKey is FGJFPWDOUNOKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-32-20-9-5-19(6-10-20)23-27-28-24(35-23)25(31)30-14-22(15-30)34-21-7-3-18(4-8-21)13-29-16-26(17-29)11-2-12-33-26/h3-10,22H,2,11-17H2,1H3.

What are the key properties of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(5-oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy]azetidin-1-yl]methanone?

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(5-oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy]azetidin-1-yl]methanone has a molecular weight of 476.53 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(5-oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 71226964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).