3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole

C18H28N6O — CID 97392160

IUPAC3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCn2c(CN3CCN(C)CC3)cnc2C1
InChIInChI=1S/C18H28N6O/c1-14-17(15(2)25-20-14)12-23-8-9-24-16(10-19-18(24)13-23)11-22-6-4-21(3)5-7-22/h10H,4-9,11-13H2,1-3H3
InChIKeyOOGLLJVHLKTPPF-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.25
Rot. Bonds4

About 3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole

3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole (PubChem CID 97392160) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
PubChem CID97392160
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCn2c(CN3CCN(C)CC3)cnc2C1
InChIInChI=1S/C18H28N6O/c1-14-17(15(2)25-20-14)12-23-8-9-24-16(10-19-18(24)13-23)11-22-6-4-21(3)5-7-22/h10H,4-9,11-13H2,1-3H3
InChIKeyOOGLLJVHLKTPPF-UHFFFAOYSA-N
XLogP1.25
TPSA53.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole (CID 97392160) is 3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCn2c(CN3CCN(C)CC3)cnc2C1.
What is the InChIKey of 3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole?
The InChIKey is OOGLLJVHLKTPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-14-17(15(2)25-20-14)12-23-8-9-24-16(10-19-18(24)13-23)11-22-6-4-21(3)5-7-22/h10H,4-9,11-13H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole has a molecular weight of 344.46 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 97392160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).