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

C16H18N4O — CID 86774890

IUPAC2-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-benzoxazole
SMILESCc1nc2n(c1C)CCN(Cc1nc3ccccc3o1)C2
InChIInChI=1S/C16H18N4O/c1-11-12(2)20-8-7-19(9-15(20)17-11)10-16-18-13-5-3-4-6-14(13)21-16/h3-6H,7-10H2,1-2H3
InChIKeyCOKAOXZACWPOAF-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.66
Rot. Bonds2

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

2-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-benzoxazole (PubChem CID 86774890) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-benzoxazole
PubChem CID86774890
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-benzoxazole
SMILESCc1nc2n(c1C)CCN(Cc1nc3ccccc3o1)C2
InChIInChI=1S/C16H18N4O/c1-11-12(2)20-8-7-19(9-15(20)17-11)10-16-18-13-5-3-4-6-14(13)21-16/h3-6H,7-10H2,1-2H3
InChIKeyCOKAOXZACWPOAF-UHFFFAOYSA-N
XLogP2.66
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-benzoxazole with MolForge

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Related Compounds

2-(Piperazin-1-yl)-1,3-benzoxazole
CID 647818
3,3'-Diethyloxacarbocyanine iodide
CID 6538326
3,3'-Diethyloxadicarbocyanine iodide
CID 5702692
4-Benzoxazo-2-yl-1,4-diazabicyclo[3.2.2]nonane
CID 9794818
US11518767, Example 1-2
CID 142608599
N-(4,6-Dimethyl-2-pyrimidinyl)-2-benzoxazolamine
CID 854816
2-[4-(2,2-Dimethylpropanoyl)piperazin-1-yl]-1,3-benzoxazole
CID 1504182
2-Furan-2-yl-1-furan-2-ylmethyl-1H-benzoimidazole
CID 650866
1-Methyl-2-(5-methyl-2-furanyl)-1H-benzimidazole
CID 806167
2-(Morpholin-4-yl)-1,3-benzoxazole
CID 589769
3,3'-Diethyloxatricarbocyanine iodide
CID 5702695
Benzoxazolium, 3-hexyl-2-[3-(3-hexyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1)
CID 5702702

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-benzoxazole?
The IUPAC name of 2-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-benzoxazole (CID 86774890) is 2-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-benzoxazole is Cc1nc2n(c1C)CCN(Cc1nc3ccccc3o1)C2.
What is the InChIKey of 2-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-benzoxazole?
The InChIKey is COKAOXZACWPOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-12(2)20-8-7-19(9-15(20)17-11)10-16-18-13-5-3-4-6-14(13)21-16/h3-6H,7-10H2,1-2H3.
What are the key properties of 2-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-benzoxazole?
2-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-benzoxazole has a molecular weight of 282.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-benzoxazole is sourced from PubChem (CID 86774890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).