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

C13H19N3O2 — CID 84592407

IUPAC4-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCCOC(C)c1nccn1Cc1c(C)noc1C
InChIInChI=1S/C13H19N3O2/c1-5-17-11(4)13-14-6-7-16(13)8-12-9(2)15-18-10(12)3/h6-7,11H,5,8H2,1-4H3
InChIKeyTXPBWXJBLQJVBH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.63
Rot. Bonds5

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

4-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 84592407) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID84592407
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCCOC(C)c1nccn1Cc1c(C)noc1C
InChIInChI=1S/C13H19N3O2/c1-5-17-11(4)13-14-6-7-16(13)8-12-9(2)15-18-10(12)3/h6-7,11H,5,8H2,1-4H3
InChIKeyTXPBWXJBLQJVBH-UHFFFAOYSA-N
XLogP2.63
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 84592407) is 4-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is CCOC(C)c1nccn1Cc1c(C)noc1C.
What is the InChIKey of 4-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is TXPBWXJBLQJVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-5-17-11(4)13-14-6-7-16(13)8-12-9(2)15-18-10(12)3/h6-7,11H,5,8H2,1-4H3.
What are the key properties of 4-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 249.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 84592407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).