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

C18H21N3O2 — CID 56662413

IUPAC2-(3-ethoxyphenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCCOc1cccc(-c2nc(Cn3cc(C)nc3CC)co2)c1
InChIInChI=1S/C18H21N3O2/c1-4-17-19-13(3)10-21(17)11-15-12-23-18(20-15)14-7-6-8-16(9-14)22-5-2/h6-10,12H,4-5,11H2,1-3H3
InChIKeyAJVPFAVSXZFYLF-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.86
Rot. Bonds6

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

2-(3-ethoxyphenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56662413) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID56662413
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-(3-ethoxyphenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCCOc1cccc(-c2nc(Cn3cc(C)nc3CC)co2)c1
InChIInChI=1S/C18H21N3O2/c1-4-17-19-13(3)10-21(17)11-15-12-23-18(20-15)14-7-6-8-16(9-14)22-5-2/h6-10,12H,4-5,11H2,1-3H3
InChIKeyAJVPFAVSXZFYLF-UHFFFAOYSA-N
XLogP3.86
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(3-ethoxyphenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole (CID 56662413) is 2-(3-ethoxyphenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-ethoxyphenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(3-ethoxyphenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole is CCOc1cccc(-c2nc(Cn3cc(C)nc3CC)co2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is AJVPFAVSXZFYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-17-19-13(3)10-21(17)11-15-12-23-18(20-15)14-7-6-8-16(9-14)22-5-2/h6-10,12H,4-5,11H2,1-3H3.
What are the key properties of 2-(3-ethoxyphenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole?
2-(3-ethoxyphenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 311.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56662413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).