N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-fluoropyridine-3-carboxamide

C16H19FN4O4 — CID 134356509

IUPACN-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-fluoropyridine-3-carboxamide
SMILESNCCCCC(NC(=O)c1ccc(F)nc1)C(=O)COc1ccon1
InChIInChI=1S/C16H19FN4O4/c17-14-5-4-11(9-19-14)16(23)20-12(3-1-2-7-18)13(22)10-24-15-6-8-25-21-15/h4-6,8-9,12H,1-3,7,10,18H2,(H,20,23)
InChIKeyBQOGBOZVNFTTKQ-UHFFFAOYSA-N
MW350.35 g/mol
LogP1.08
Rot. Bonds10

About N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-fluoropyridine-3-carboxamide

N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-fluoropyridine-3-carboxamide (PubChem CID 134356509) has the molecular formula C16H19FN4O4 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-fluoropyridine-3-carboxamide
PubChem CID134356509
Molecular FormulaC16H19FN4O4
Molecular Weight350.35 g/mol
Exact Mass350.14
IUPAC NameN-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-fluoropyridine-3-carboxamide
SMILESNCCCCC(NC(=O)c1ccc(F)nc1)C(=O)COc1ccon1
InChIInChI=1S/C16H19FN4O4/c17-14-5-4-11(9-19-14)16(23)20-12(3-1-2-7-18)13(22)10-24-15-6-8-25-21-15/h4-6,8-9,12H,1-3,7,10,18H2,(H,20,23)
InChIKeyBQOGBOZVNFTTKQ-UHFFFAOYSA-N
XLogP1.08
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-fluoropyridine-3-carboxamide (CID 134356509) is N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-fluoropyridine-3-carboxamide is NCCCCC(NC(=O)c1ccc(F)nc1)C(=O)COc1ccon1.
What is the InChIKey of N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-fluoropyridine-3-carboxamide?
The InChIKey is BQOGBOZVNFTTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O4/c17-14-5-4-11(9-19-14)16(23)20-12(3-1-2-7-18)13(22)10-24-15-6-8-25-21-15/h4-6,8-9,12H,1-3,7,10,18H2,(H,20,23).
What are the key properties of N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-fluoropyridine-3-carboxamide?
N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-fluoropyridine-3-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 1.08, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 134356509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).