6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H18FN5O2 — CID 51328557

IUPAC6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3F)cc(C(=O)NCCCn3ccnc3)c12
InChIInChI=1S/C20H18FN5O2/c1-13-18-15(19(27)23-7-4-9-26-10-8-22-12-26)11-17(24-20(18)28-25-13)14-5-2-3-6-16(14)21/h2-3,5-6,8,10-12H,4,7,9H2,1H3,(H,23,27)
InChIKeyZYXGSYXOQZPLGY-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.35
Rot. Bonds6

About 6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51328557) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID51328557
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3F)cc(C(=O)NCCCn3ccnc3)c12
InChIInChI=1S/C20H18FN5O2/c1-13-18-15(19(27)23-7-4-9-26-10-8-22-12-26)11-17(24-20(18)28-25-13)14-5-2-3-6-16(14)21/h2-3,5-6,8,10-12H,4,7,9H2,1H3,(H,23,27)
InChIKeyZYXGSYXOQZPLGY-UHFFFAOYSA-N
XLogP3.35
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.35
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 6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 51328557) is 6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCCCn3ccnc3)c12.
What is the InChIKey of 6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZYXGSYXOQZPLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-13-18-15(19(27)23-7-4-9-26-10-8-22-12-26)11-17(24-20(18)28-25-13)14-5-2-3-6-16(14)21/h2-3,5-6,8,10-12H,4,7,9H2,1H3,(H,23,27).
What are the key properties of 6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51328557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).