3H-benzimidazol-5-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

C17H19N5O3 — CID 129000545

About 3H-benzimidazol-5-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

3H-benzimidazol-5-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 129000545) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: 3H-benzimidazol-5-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
• PubChem CID: 129000545
• Molecular Formula: C17H19N5O3
• Molecular Weight: 341.37 g/mol
• Exact Mass: 341.15
• IUPAC Name: 3H-benzimidazol-5-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
• SMILES: CC(C)c1nnc(C2CN(C(=O)c3ccc4nc[nH]c4c3)CCO2)o1
• InChI: InChI=1S/C17H19N5O3/c1-10(2)15-20-21-16(25-15)14-8-22(5-6-24-14)17(23)11-3-4-12-13(7-11)19-9-18-12/h3-4,7,9-10,14H,5-6,8H2,1-2H3,(H,18,19)
• InChIKey: UBIFDPOIAYDQCV-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 97.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.37
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?

The IUPAC name of 3H-benzimidazol-5-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (CID 129000545) is 3H-benzimidazol-5-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

What is the SMILES notation for 3H-benzimidazol-5-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?

The canonical SMILES for 3H-benzimidazol-5-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is CC(C)c1nnc(C2CN(C(=O)c3ccc4nc[nH]c4c3)CCO2)o1.

What is the InChIKey of 3H-benzimidazol-5-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?

The InChIKey is UBIFDPOIAYDQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10(2)15-20-21-16(25-15)14-8-22(5-6-24-14)17(23)11-3-4-12-13(7-11)19-9-18-12/h3-4,7,9-10,14H,5-6,8H2,1-2H3,(H,18,19).

What are the key properties of 3H-benzimidazol-5-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?

3H-benzimidazol-5-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 341.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3H-benzimidazol-5-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129000545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).