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

C18H21N5O — CID 86774882

IUPAC5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc(CN2CCn3c(nc(C)c3C)C2)n1
InChIInChI=1S/C18H21N5O/c1-12-6-4-5-7-15(12)18-20-17(24-21-18)11-22-8-9-23-14(3)13(2)19-16(23)10-22/h4-7H,8-11H2,1-3H3
InChIKeyBKMRNETWVCMOPZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.87
Rot. Bonds3

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

5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 86774882) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID86774882
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc(CN2CCn3c(nc(C)c3C)C2)n1
InChIInChI=1S/C18H21N5O/c1-12-6-4-5-7-15(12)18-20-17(24-21-18)11-22-8-9-23-14(3)13(2)19-16(23)10-22/h4-7H,8-11H2,1-3H3
InChIKeyBKMRNETWVCMOPZ-UHFFFAOYSA-N
XLogP2.87
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 86774857
4,5-dimethyl-2-[[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]phenol
CID 46443595
2-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-benzoxazole
CID 86774890
methyl 2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetate
CID 34552390
N-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine
CID 81492893
5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 133310455
(6S)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97203254
(6R)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98842150
3-(2-methylphenyl)-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 133418498
1-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenoxyethanone
CID 37088185
(3-iodophenyl)-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 39586517
1-ethyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione
CID 9207850

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (CID 86774882) is 5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is Cc1ccccc1-c1noc(CN2CCn3c(nc(C)c3C)C2)n1.
What is the InChIKey of 5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is BKMRNETWVCMOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-6-4-5-7-15(12)18-20-17(24-21-18)11-22-8-9-23-14(3)13(2)19-16(23)10-22/h4-7H,8-11H2,1-3H3.
What are the key properties of 5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 323.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 86774882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).