3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole

C6H6N4O — CID 137219999

IUPAC3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ncc[nH]2)no1
InChIInChI=1S/C6H6N4O/c1-4-9-6(10-11-4)5-7-2-3-8-5/h2-3H,1H3,(H,7,8)
InChIKeyDITCIEDUQLLGPL-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.77
Rot. Bonds1

About 3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole

3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole (PubChem CID 137219999) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole
PubChem CID137219999
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ncc[nH]2)no1
InChIInChI=1S/C6H6N4O/c1-4-9-6(10-11-4)5-7-2-3-8-5/h2-3H,1H3,(H,7,8)
InChIKeyDITCIEDUQLLGPL-UHFFFAOYSA-N
XLogP0.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 136854692
(1S)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 136820497
2-ethyl-2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 137012523
3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 136755756
3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 137101480
3-(1H-imidazol-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 136746255
N-[[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 137076816
5-(2-azaspiro[4.5]decan-4-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole
CID 138006780
3-[2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-1,3-thiazol-2-one
CID 136712354
3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-one
CID 136696552
1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 137013136
ethyl (3R)-3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 136901068

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole (CID 137219999) is 3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole is Cc1nc(-c2ncc[nH]2)no1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is DITCIEDUQLLGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-4-9-6(10-11-4)5-7-2-3-8-5/h2-3H,1H3,(H,7,8).
What are the key properties of 3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole?
3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole has a molecular weight of 150.14 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 137219999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).