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

C8H9N3O — CID 137137585

IUPAC5-methyl-3-(2-methyl-1H-imidazol-5-yl)-1,2-oxazole
SMILESCc1ncc(-c2cc(C)on2)[nH]1
InChIInChI=1S/C8H9N3O/c1-5-3-7(11-12-5)8-4-9-6(2)10-8/h3-4H,1-2H3,(H,9,10)
InChIKeyZFABAJLXQXLHEE-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.68
Rot. Bonds1

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

5-methyl-3-(2-methyl-1H-imidazol-5-yl)-1,2-oxazole (PubChem CID 137137585) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-methyl-3-(2-methyl-1H-imidazol-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(2-methyl-1H-imidazol-5-yl)-1,2-oxazole
PubChem CID137137585
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name5-methyl-3-(2-methyl-1H-imidazol-5-yl)-1,2-oxazole
SMILESCc1ncc(-c2cc(C)on2)[nH]1
InChIInChI=1S/C8H9N3O/c1-5-3-7(11-12-5)8-4-9-6(2)10-8/h3-4H,1-2H3,(H,9,10)
InChIKeyZFABAJLXQXLHEE-UHFFFAOYSA-N
XLogP1.68
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methyl-1H-imidazol-5-yl)-1,2-oxazole?
The IUPAC name of 5-methyl-3-(2-methyl-1H-imidazol-5-yl)-1,2-oxazole (CID 137137585) is 5-methyl-3-(2-methyl-1H-imidazol-5-yl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(2-methyl-1H-imidazol-5-yl)-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(2-methyl-1H-imidazol-5-yl)-1,2-oxazole is Cc1ncc(-c2cc(C)on2)[nH]1.
What is the InChIKey of 5-methyl-3-(2-methyl-1H-imidazol-5-yl)-1,2-oxazole?
The InChIKey is ZFABAJLXQXLHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5-3-7(11-12-5)8-4-9-6(2)10-8/h3-4H,1-2H3,(H,9,10).
What are the key properties of 5-methyl-3-(2-methyl-1H-imidazol-5-yl)-1,2-oxazole?
5-methyl-3-(2-methyl-1H-imidazol-5-yl)-1,2-oxazole has a molecular weight of 163.18 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methyl-1H-imidazol-5-yl)-1,2-oxazole is sourced from PubChem (CID 137137585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).