3-phenyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one

C22H29N3O3 — CID 110876597

About 3-phenyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one

3-phenyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one (PubChem CID 110876597) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-phenyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-phenyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
• PubChem CID: 110876597
• Molecular Formula: C22H29N3O3
• Molecular Weight: 383.49 g/mol
• Exact Mass: 383.22
• IUPAC Name: 3-phenyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
• SMILES: CC(C)c1nnc(C2CN(C(=O)CCc3ccccc3)CC23CCOCC3)o1
• InChI: InChI=1S/C22H29N3O3/c1-16(2)20-23-24-21(28-20)18-14-25(15-22(18)10-12-27-13-11-22)19(26)9-8-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3
• InChIKey: DSBHOXBWUPEPAI-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.49
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?

The IUPAC name of 3-phenyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one (CID 110876597) is 3-phenyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one.

What is the SMILES notation for 3-phenyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?

The canonical SMILES for 3-phenyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one is CC(C)c1nnc(C2CN(C(=O)CCc3ccccc3)CC23CCOCC3)o1.

What is the InChIKey of 3-phenyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?

The InChIKey is DSBHOXBWUPEPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-16(2)20-23-24-21(28-20)18-14-25(15-22(18)10-12-27-13-11-22)19(26)9-8-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3.

What are the key properties of 3-phenyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?

3-phenyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one has a molecular weight of 383.49 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one is sourced from PubChem (CID 110876597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).