4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole

C17H19N3O2 — CID 56668834

IUPAC4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole
SMILESCCc1nc(C)cn1Cc1coc(-c2cccc(OC)c2)n1
InChIInChI=1S/C17H19N3O2/c1-4-16-18-12(2)9-20(16)10-14-11-22-17(19-14)13-6-5-7-15(8-13)21-3/h5-9,11H,4,10H2,1-3H3
InChIKeyDBQXFJJRMWCRDM-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.47
Rot. Bonds5

About 4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole

4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole (PubChem CID 56668834) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole
PubChem CID56668834
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole
SMILESCCc1nc(C)cn1Cc1coc(-c2cccc(OC)c2)n1
InChIInChI=1S/C17H19N3O2/c1-4-16-18-12(2)9-20(16)10-14-11-22-17(19-14)13-6-5-7-15(8-13)21-3/h5-9,11H,4,10H2,1-3H3
InChIKeyDBQXFJJRMWCRDM-UHFFFAOYSA-N
XLogP3.47
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole (CID 56668834) is 4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole is CCc1nc(C)cn1Cc1coc(-c2cccc(OC)c2)n1.
What is the InChIKey of 4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole?
The InChIKey is DBQXFJJRMWCRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-4-16-18-12(2)9-20(16)10-14-11-22-17(19-14)13-6-5-7-15(8-13)21-3/h5-9,11H,4,10H2,1-3H3.
What are the key properties of 4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole?
4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole has a molecular weight of 297.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 56668834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).