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

C7H8N4O — CID 91318495

IUPAC2-methyl-5-(1-methylimidazol-2-yl)-1,3,4-oxadiazole
SMILESCc1nnc(-c2nccn2C)o1
InChIInChI=1S/C7H8N4O/c1-5-9-10-7(12-5)6-8-3-4-11(6)2/h3-4H,1-2H3
InChIKeyPZUZOXVEPAOHLR-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.78
Rot. Bonds1

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

2-methyl-5-(1-methylimidazol-2-yl)-1,3,4-oxadiazole (PubChem CID 91318495) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-methyl-5-(1-methylimidazol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(1-methylimidazol-2-yl)-1,3,4-oxadiazole
PubChem CID91318495
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2-methyl-5-(1-methylimidazol-2-yl)-1,3,4-oxadiazole
SMILESCc1nnc(-c2nccn2C)o1
InChIInChI=1S/C7H8N4O/c1-5-9-10-7(12-5)6-8-3-4-11(6)2/h3-4H,1-2H3
InChIKeyPZUZOXVEPAOHLR-UHFFFAOYSA-N
XLogP0.78
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methylimidazol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(1-methylimidazol-2-yl)-1,3,4-oxadiazole (CID 91318495) is 2-methyl-5-(1-methylimidazol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(1-methylimidazol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(1-methylimidazol-2-yl)-1,3,4-oxadiazole is Cc1nnc(-c2nccn2C)o1.
What is the InChIKey of 2-methyl-5-(1-methylimidazol-2-yl)-1,3,4-oxadiazole?
The InChIKey is PZUZOXVEPAOHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-5-9-10-7(12-5)6-8-3-4-11(6)2/h3-4H,1-2H3.
What are the key properties of 2-methyl-5-(1-methylimidazol-2-yl)-1,3,4-oxadiazole?
2-methyl-5-(1-methylimidazol-2-yl)-1,3,4-oxadiazole has a molecular weight of 164.17 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methylimidazol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 91318495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).