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

C16H15FN4O2 — CID 24738314

IUPAC5-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2ccccc2F)on1
InChIInChI=1S/C16H15FN4O2/c17-13-5-2-1-4-12(13)15-10-14(20-23-15)16(22)19-6-3-8-21-9-7-18-11-21/h1-2,4-5,7,9-11H,3,6,8H2,(H,19,22)
InChIKeyCXIVABQXFZMVSJ-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.50
Rot. Bonds6

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

5-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 24738314) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID24738314
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name5-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2ccccc2F)on1
InChIInChI=1S/C16H15FN4O2/c17-13-5-2-1-4-12(13)15-10-14(20-23-15)16(22)19-6-3-8-21-9-7-18-11-21/h1-2,4-5,7,9-11H,3,6,8H2,(H,19,22)
InChIKeyCXIVABQXFZMVSJ-UHFFFAOYSA-N
XLogP2.50
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide (CID 24738314) is 5-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide is O=C(NCCCn1ccnc1)c1cc(-c2ccccc2F)on1.
What is the InChIKey of 5-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is CXIVABQXFZMVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c17-13-5-2-1-4-12(13)15-10-14(20-23-15)16(22)19-6-3-8-21-9-7-18-11-21/h1-2,4-5,7,9-11H,3,6,8H2,(H,19,22).
What are the key properties of 5-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
5-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24738314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).