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

C16H19FN4O4 — CID 134347930

IUPACN-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide
SMILESNCCCC[C@H](NC(=O)c1cccnc1F)C(=O)COc1ccon1
InChIInChI=1S/C16H19FN4O4/c17-15-11(4-3-8-19-15)16(23)20-12(5-1-2-7-18)13(22)10-24-14-6-9-25-21-14/h3-4,6,8-9,12H,1-2,5,7,10,18H2,(H,20,23)/t12-/m0/s1
InChIKeyDYHAPVQJFQJIPB-LBPRGKRZSA-N
MW350.35 g/mol
LogP1.08
Rot. Bonds10

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

N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide (PubChem CID 134347930) has the molecular formula C16H19FN4O4 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide
PubChem CID134347930
Molecular FormulaC16H19FN4O4
Molecular Weight350.35 g/mol
Exact Mass350.14
IUPAC NameN-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide
SMILESNCCCC[C@H](NC(=O)c1cccnc1F)C(=O)COc1ccon1
InChIInChI=1S/C16H19FN4O4/c17-15-11(4-3-8-19-15)16(23)20-12(5-1-2-7-18)13(22)10-24-14-6-9-25-21-14/h3-4,6,8-9,12H,1-2,5,7,10,18H2,(H,20,23)/t12-/m0/s1
InChIKeyDYHAPVQJFQJIPB-LBPRGKRZSA-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-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide (CID 134347930) is N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide is NCCCC[C@H](NC(=O)c1cccnc1F)C(=O)COc1ccon1.
What is the InChIKey of N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide?
The InChIKey is DYHAPVQJFQJIPB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19FN4O4/c17-15-11(4-3-8-19-15)16(23)20-12(5-1-2-7-18)13(22)10-24-14-6-9-25-21-14/h3-4,6,8-9,12H,1-2,5,7,10,18H2,(H,20,23)/t12-/m0/s1.
What are the key properties of N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide?
N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-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-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 134347930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).