3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole

C9H12N4O — CID 115624837

IUPAC3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cn2cnc(C)c2C)no1
InChIInChI=1S/C9H12N4O/c1-6-7(2)13(5-10-6)4-9-11-8(3)14-12-9/h5H,4H2,1-3H3
InChIKeyCQBGPEATOVYRRF-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.24
Rot. Bonds2

About 3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole

3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 115624837) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID115624837
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cn2cnc(C)c2C)no1
InChIInChI=1S/C9H12N4O/c1-6-7(2)13(5-10-6)4-9-11-8(3)14-12-9/h5H,4H2,1-3H3
InChIKeyCQBGPEATOVYRRF-UHFFFAOYSA-N
XLogP1.24
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 154735688
6-chloro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one
CID 114582371
5-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole
CID 115773544
5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 115616737
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62222505
5-bromo-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
CID 81422735
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 60709676
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone
CID 79107226
2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 106405219
5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115917888
3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 106410293
1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole
CID 115641222

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole (CID 115624837) is 3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(Cn2cnc(C)c2C)no1.
What is the InChIKey of 3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is CQBGPEATOVYRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6-7(2)13(5-10-6)4-9-11-8(3)14-12-9/h5H,4H2,1-3H3.
What are the key properties of 3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole?
3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 192.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 115624837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).