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

C12H16N4O — CID 86774834

IUPAC2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CN2CCn3ccnc3C2)oc1C
InChIInChI=1S/C12H16N4O/c1-9-10(2)17-12(14-9)8-15-5-6-16-4-3-13-11(16)7-15/h3-4H,5-8H2,1-2H3
InChIKeyVHUDVXHTIKIVQD-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.50
Rot. Bonds2

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

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4,5-dimethyl-1,3-oxazole (PubChem CID 86774834) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4,5-dimethyl-1,3-oxazole
PubChem CID86774834
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CN2CCn3ccnc3C2)oc1C
InChIInChI=1S/C12H16N4O/c1-9-10(2)17-12(14-9)8-15-5-6-16-4-3-13-11(16)7-15/h3-4H,5-8H2,1-2H3
InChIKeyVHUDVXHTIKIVQD-UHFFFAOYSA-N
XLogP1.50
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673203
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylguanidine
CID 109428479
2-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109430561
N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 128965326
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 128966555
4,5-Dimethyl-2-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 128978590
N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129333191
N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129333192
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129334175
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129334176
4,5-dimethyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 129351186
4,5-dimethyl-2-[[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 129351187

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4,5-dimethyl-1,3-oxazole (CID 86774834) is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4,5-dimethyl-1,3-oxazole is Cc1nc(CN2CCn3ccnc3C2)oc1C.
What is the InChIKey of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4,5-dimethyl-1,3-oxazole?
The InChIKey is VHUDVXHTIKIVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-10(2)17-12(14-9)8-15-5-6-16-4-3-13-11(16)7-15/h3-4H,5-8H2,1-2H3.
What are the key properties of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4,5-dimethyl-1,3-oxazole?
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4,5-dimethyl-1,3-oxazole has a molecular weight of 232.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 86774834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).