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

C18H16N4O3 — CID 24738650

IUPAC5-(1-benzofuran-2-yl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2cc3ccccc3o2)on1
InChIInChI=1S/C18H16N4O3/c23-18(20-6-3-8-22-9-7-19-12-22)14-11-17(25-21-14)16-10-13-4-1-2-5-15(13)24-16/h1-2,4-5,7,9-12H,3,6,8H2,(H,20,23)
InChIKeyOTGSOMVDSVXYPG-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.10
Rot. Bonds6

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

5-(1-benzofuran-2-yl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 24738650) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID24738650
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name5-(1-benzofuran-2-yl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2cc3ccccc3o2)on1
InChIInChI=1S/C18H16N4O3/c23-18(20-6-3-8-22-9-7-19-12-22)14-11-17(25-21-14)16-10-13-4-1-2-5-15(13)24-16/h1-2,4-5,7,9-12H,3,6,8H2,(H,20,23)
InChIKeyOTGSOMVDSVXYPG-UHFFFAOYSA-N
XLogP3.10
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(1-benzofuran-2-yl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1-benzofuran-2-yl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide (CID 24738650) is 5-(1-benzofuran-2-yl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1-benzofuran-2-yl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide is O=C(NCCCn1ccnc1)c1cc(-c2cc3ccccc3o2)on1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is OTGSOMVDSVXYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-18(20-6-3-8-22-9-7-19-12-22)14-11-17(25-21-14)16-10-13-4-1-2-5-15(13)24-16/h1-2,4-5,7,9-12H,3,6,8H2,(H,20,23).
What are the key properties of 5-(1-benzofuran-2-yl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
5-(1-benzofuran-2-yl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24738650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).