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

C23H29N5O3 — CID 91924706

About 3-(1H-benzimidazol-2-yl)-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-(1H-benzimidazol-2-yl)-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 91924706) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-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-(1H-benzimidazol-2-yl)-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: 91924706
• Molecular Formula: C23H29N5O3
• Molecular Weight: 423.52 g/mol
• Exact Mass: 423.23
• IUPAC Name: 3-(1H-benzimidazol-2-yl)-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)CCc3nc4ccccc4[nH]3)CC23CCOCC3)o1
• InChI: InChI=1S/C23H29N5O3/c1-15(2)21-26-27-22(31-21)16-13-28(14-23(16)9-11-30-12-10-23)20(29)8-7-19-24-17-5-3-4-6-18(17)25-19/h3-6,15-16H,7-14H2,1-2H3,(H,24,25)
• InChIKey: UXLMHBBATBKYNO-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 97.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.52
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-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-(1H-benzimidazol-2-yl)-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 91924706) is 3-(1H-benzimidazol-2-yl)-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-(1H-benzimidazol-2-yl)-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-(1H-benzimidazol-2-yl)-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)CCc3nc4ccccc4[nH]3)CC23CCOCC3)o1.

What is the InChIKey of 3-(1H-benzimidazol-2-yl)-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 UXLMHBBATBKYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-15(2)21-26-27-22(31-21)16-13-28(14-23(16)9-11-30-12-10-23)20(29)8-7-19-24-17-5-3-4-6-18(17)25-19/h3-6,15-16H,7-14H2,1-2H3,(H,24,25).

What are the key properties of 3-(1H-benzimidazol-2-yl)-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-(1H-benzimidazol-2-yl)-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 423.52 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-benzimidazol-2-yl)-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 91924706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).