5-(2,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide

C18H20N4O4 — CID 3236500

IUPAC5-(2,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCCCn3ccnc3)no2)c1
InChIInChI=1S/C18H20N4O4/c1-24-13-4-5-16(25-2)14(10-13)17-11-15(21-26-17)18(23)20-6-3-8-22-9-7-19-12-22/h4-5,7,9-12H,3,6,8H2,1-2H3,(H,20,23)
InChIKeyLKTZQOVIJJGLLN-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.38
Rot. Bonds8

About 5-(2,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide

5-(2,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 3236500) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID3236500
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name5-(2,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCCCn3ccnc3)no2)c1
InChIInChI=1S/C18H20N4O4/c1-24-13-4-5-16(25-2)14(10-13)17-11-15(21-26-17)18(23)20-6-3-8-22-9-7-19-12-22/h4-5,7,9-12H,3,6,8H2,1-2H3,(H,20,23)
InChIKeyLKTZQOVIJJGLLN-UHFFFAOYSA-N
XLogP2.38
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide (CID 3236500) is 5-(2,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)NCCCn3ccnc3)no2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LKTZQOVIJJGLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-24-13-4-5-16(25-2)14(10-13)17-11-15(21-26-17)18(23)20-6-3-8-22-9-7-19-12-22/h4-5,7,9-12H,3,6,8H2,1-2H3,(H,20,23).
What are the key properties of 5-(2,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
5-(2,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3236500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).