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

C12H13N5O — CID 56861276

IUPAC3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2ccnc2-c2nc[nH]c2C)on1
InChIInChI=1S/C12H13N5O/c1-8-5-10(18-16-8)6-17-4-3-13-12(17)11-9(2)14-7-15-11/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyFXSXJUZUMRWYNA-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.93
Rot. Bonds3

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

3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 56861276) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole
PubChem CID56861276
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2ccnc2-c2nc[nH]c2C)on1
InChIInChI=1S/C12H13N5O/c1-8-5-10(18-16-8)6-17-4-3-13-12(17)11-9(2)14-7-15-11/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyFXSXJUZUMRWYNA-UHFFFAOYSA-N
XLogP1.93
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole (CID 56861276) is 3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole is Cc1cc(Cn2ccnc2-c2nc[nH]c2C)on1.
What is the InChIKey of 3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is FXSXJUZUMRWYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-8-5-10(18-16-8)6-17-4-3-13-12(17)11-9(2)14-7-15-11/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?
3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 243.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 56861276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).