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

C8H9N3O — CID 126495844

IUPAC2-methyl-4-(5-methyl-1H-imidazol-2-yl)-1,3-oxazole
SMILESCc1cnc(-c2coc(C)n2)[nH]1
InChIInChI=1S/C8H9N3O/c1-5-3-9-8(10-5)7-4-12-6(2)11-7/h3-4H,1-2H3,(H,9,10)
InChIKeyGROSYUBAIDMPNT-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.68
Rot. Bonds1

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

2-methyl-4-(5-methyl-1H-imidazol-2-yl)-1,3-oxazole (PubChem CID 126495844) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-(5-methyl-1H-imidazol-2-yl)-1,3-oxazole
PubChem CID126495844
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2-methyl-4-(5-methyl-1H-imidazol-2-yl)-1,3-oxazole
SMILESCc1cnc(-c2coc(C)n2)[nH]1
InChIInChI=1S/C8H9N3O/c1-5-3-9-8(10-5)7-4-12-6(2)11-7/h3-4H,1-2H3,(H,9,10)
InChIKeyGROSYUBAIDMPNT-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 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-1,3-oxazole?
The IUPAC name of 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-1,3-oxazole (CID 126495844) is 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-1,3-oxazole?
The canonical SMILES for 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-1,3-oxazole is Cc1cnc(-c2coc(C)n2)[nH]1.
What is the InChIKey of 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-1,3-oxazole?
The InChIKey is GROSYUBAIDMPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5-3-9-8(10-5)7-4-12-6(2)11-7/h3-4H,1-2H3,(H,9,10).
What are the key properties of 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-1,3-oxazole?
2-methyl-4-(5-methyl-1H-imidazol-2-yl)-1,3-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 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-1,3-oxazole is sourced from PubChem (CID 126495844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).