4-[(2,4-dimethylimidazol-1-yl)methyl]-2-(furan-2-yl)-1,3-oxazole

C13H13N3O2 — CID 56672480

IUPAC4-[(2,4-dimethylimidazol-1-yl)methyl]-2-(furan-2-yl)-1,3-oxazole
SMILESCc1cn(Cc2coc(-c3ccco3)n2)c(C)n1
InChIInChI=1S/C13H13N3O2/c1-9-6-16(10(2)14-9)7-11-8-18-13(15-11)12-4-3-5-17-12/h3-6,8H,7H2,1-2H3
InChIKeyGTUSZMVBCIEXOA-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.80
Rot. Bonds3

About 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-(furan-2-yl)-1,3-oxazole

4-[(2,4-dimethylimidazol-1-yl)methyl]-2-(furan-2-yl)-1,3-oxazole (PubChem CID 56672480) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-(furan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(2,4-dimethylimidazol-1-yl)methyl]-2-(furan-2-yl)-1,3-oxazole
PubChem CID56672480
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name4-[(2,4-dimethylimidazol-1-yl)methyl]-2-(furan-2-yl)-1,3-oxazole
SMILESCc1cn(Cc2coc(-c3ccco3)n2)c(C)n1
InChIInChI=1S/C13H13N3O2/c1-9-6-16(10(2)14-9)7-11-8-18-13(15-11)12-4-3-5-17-12/h3-6,8H,7H2,1-2H3
InChIKeyGTUSZMVBCIEXOA-UHFFFAOYSA-N
XLogP2.80
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-(furan-2-yl)-1,3-oxazole?
The IUPAC name of 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-(furan-2-yl)-1,3-oxazole (CID 56672480) is 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-(furan-2-yl)-1,3-oxazole.
What is the SMILES notation for 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-(furan-2-yl)-1,3-oxazole?
The canonical SMILES for 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-(furan-2-yl)-1,3-oxazole is Cc1cn(Cc2coc(-c3ccco3)n2)c(C)n1.
What is the InChIKey of 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-(furan-2-yl)-1,3-oxazole?
The InChIKey is GTUSZMVBCIEXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-6-16(10(2)14-9)7-11-8-18-13(15-11)12-4-3-5-17-12/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-(furan-2-yl)-1,3-oxazole?
4-[(2,4-dimethylimidazol-1-yl)methyl]-2-(furan-2-yl)-1,3-oxazole has a molecular weight of 243.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-(furan-2-yl)-1,3-oxazole is sourced from PubChem (CID 56672480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).