3-[2-[1-(3-methylbutyl)-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C20H30N4O4 — CID 45162994

About 3-[2-[1-(3-methylbutyl)-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[1-(3-methylbutyl)-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 45162994) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-[2-[1-(3-methylbutyl)-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[1-(3-methylbutyl)-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
• PubChem CID: 45162994
• Molecular Formula: C20H30N4O4
• Molecular Weight: 390.48 g/mol
• Exact Mass: 390.23
• IUPAC Name: 3-[2-[1-(3-methylbutyl)-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
• SMILES: CC(C)CCc1nc(C2CCOC2)n2c1CN(C(=O)CN1CCOC1=O)CC2
• InChI: InChI=1S/C20H30N4O4/c1-14(2)3-4-16-17-11-22(18(25)12-23-8-10-28-20(23)26)6-7-24(17)19(21-16)15-5-9-27-13-15/h14-15H,3-13H2,1-2H3
• InChIKey: NDWDCUZVLMXCKU-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 76.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.48
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(3-methylbutyl)-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[2-[1-(3-methylbutyl)-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 45162994) is 3-[2-[1-(3-methylbutyl)-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-[1-(3-methylbutyl)-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-[1-(3-methylbutyl)-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is CC(C)CCc1nc(C2CCOC2)n2c1CN(C(=O)CN1CCOC1=O)CC2.

What is the InChIKey of 3-[2-[1-(3-methylbutyl)-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

The InChIKey is NDWDCUZVLMXCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-14(2)3-4-16-17-11-22(18(25)12-23-8-10-28-20(23)26)6-7-24(17)19(21-16)15-5-9-27-13-15/h14-15H,3-13H2,1-2H3.

What are the key properties of 3-[2-[1-(3-methylbutyl)-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

3-[2-[1-(3-methylbutyl)-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 390.48 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[1-(3-methylbutyl)-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 45162994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).