6-fluoro-N-[(3S)-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]pyridine-3-carboxamide

C17H20FN3O4 — CID 134356738

IUPAC6-fluoro-N-[(3S)-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]pyridine-3-carboxamide
SMILESCCCCC[C@H](NC(=O)c1ccc(F)nc1)C(=O)COc1ccon1
InChIInChI=1S/C17H20FN3O4/c1-2-3-4-5-13(14(22)11-24-16-8-9-25-21-16)20-17(23)12-6-7-15(18)19-10-12/h6-10,13H,2-5,11H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyQJBGXPIYEZMXEH-ZDUSSCGKSA-N
MW349.36 g/mol
LogP2.54
Rot. Bonds10

About 6-fluoro-N-[(3S)-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]pyridine-3-carboxamide

6-fluoro-N-[(3S)-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]pyridine-3-carboxamide (PubChem CID 134356738) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is 6-fluoro-N-[(3S)-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(3S)-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]pyridine-3-carboxamide
PubChem CID134356738
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name6-fluoro-N-[(3S)-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]pyridine-3-carboxamide
SMILESCCCCC[C@H](NC(=O)c1ccc(F)nc1)C(=O)COc1ccon1
InChIInChI=1S/C17H20FN3O4/c1-2-3-4-5-13(14(22)11-24-16-8-9-25-21-16)20-17(23)12-6-7-15(18)19-10-12/h6-10,13H,2-5,11H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyQJBGXPIYEZMXEH-ZDUSSCGKSA-N
XLogP2.54
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(3S)-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[(3S)-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]pyridine-3-carboxamide (CID 134356738) is 6-fluoro-N-[(3S)-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(3S)-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[(3S)-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]pyridine-3-carboxamide is CCCCC[C@H](NC(=O)c1ccc(F)nc1)C(=O)COc1ccon1.
What is the InChIKey of 6-fluoro-N-[(3S)-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]pyridine-3-carboxamide?
The InChIKey is QJBGXPIYEZMXEH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20FN3O4/c1-2-3-4-5-13(14(22)11-24-16-8-9-25-21-16)20-17(23)12-6-7-15(18)19-10-12/h6-10,13H,2-5,11H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of 6-fluoro-N-[(3S)-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]pyridine-3-carboxamide?
6-fluoro-N-[(3S)-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]pyridine-3-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(3S)-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134356738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).