(5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C17H22N4O3 — CID 97421931

About (5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 97421931) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: (5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
• PubChem CID: 97421931
• Molecular Formula: C17H22N4O3
• Molecular Weight: 330.39 g/mol
• Exact Mass: 330.17
• IUPAC Name: (5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
• SMILES: CCOCc1cnc2n1CCN(C(=O)c1cc(C3CC3)on1)[C@@H]2C
• InChI: InChI=1S/C17H22N4O3/c1-3-23-10-13-9-18-16-11(2)20(6-7-21(13)16)17(22)14-8-15(24-19-14)12-4-5-12/h8-9,11-12H,3-7,10H2,1-2H3/t11-/m1/s1
• InChIKey: PVUAIZAWUOPBIQ-LLVKDONJSA-N
• XLogP: 2.50
• TPSA: 73.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.39
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?

The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 97421931) is (5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?

The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is CCOCc1cnc2n1CCN(C(=O)c1cc(C3CC3)on1)[C@@H]2C.

What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?

The InChIKey is PVUAIZAWUOPBIQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-23-10-13-9-18-16-11(2)20(6-7-21(13)16)17(22)14-8-15(24-19-14)12-4-5-12/h8-9,11-12H,3-7,10H2,1-2H3/t11-/m1/s1.

What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?

(5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 97421931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).