N-[(3S)-8-amino-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]-2-fluoropyridine-3-carboxamide

C17H21FN4O4 — CID 134356593

IUPACN-[(3S)-8-amino-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]-2-fluoropyridine-3-carboxamide
SMILESNCCCCC[C@H](NC(=O)c1cccnc1F)C(=O)COc1ccon1
InChIInChI=1S/C17H21FN4O4/c18-16-12(5-4-9-20-16)17(24)21-13(6-2-1-3-8-19)14(23)11-25-15-7-10-26-22-15/h4-5,7,9-10,13H,1-3,6,8,11,19H2,(H,21,24)/t13-/m0/s1
InChIKeyVWEGRBVBQNRGRD-ZDUSSCGKSA-N
MW364.38 g/mol
LogP1.47
Rot. Bonds11

About N-[(3S)-8-amino-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]-2-fluoropyridine-3-carboxamide

N-[(3S)-8-amino-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]-2-fluoropyridine-3-carboxamide (PubChem CID 134356593) has the molecular formula C17H21FN4O4 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[(3S)-8-amino-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-8-amino-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]-2-fluoropyridine-3-carboxamide
PubChem CID134356593
Molecular FormulaC17H21FN4O4
Molecular Weight364.38 g/mol
Exact Mass364.15
IUPAC NameN-[(3S)-8-amino-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]-2-fluoropyridine-3-carboxamide
SMILESNCCCCC[C@H](NC(=O)c1cccnc1F)C(=O)COc1ccon1
InChIInChI=1S/C17H21FN4O4/c18-16-12(5-4-9-20-16)17(24)21-13(6-2-1-3-8-19)14(23)11-25-15-7-10-26-22-15/h4-5,7,9-10,13H,1-3,6,8,11,19H2,(H,21,24)/t13-/m0/s1
InChIKeyVWEGRBVBQNRGRD-ZDUSSCGKSA-N
XLogP1.47
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.47
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)-8-amino-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(3S)-8-amino-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]-2-fluoropyridine-3-carboxamide (CID 134356593) is N-[(3S)-8-amino-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-8-amino-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-8-amino-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]-2-fluoropyridine-3-carboxamide is NCCCCC[C@H](NC(=O)c1cccnc1F)C(=O)COc1ccon1.
What is the InChIKey of N-[(3S)-8-amino-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]-2-fluoropyridine-3-carboxamide?
The InChIKey is VWEGRBVBQNRGRD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21FN4O4/c18-16-12(5-4-9-20-16)17(24)21-13(6-2-1-3-8-19)14(23)11-25-15-7-10-26-22-15/h4-5,7,9-10,13H,1-3,6,8,11,19H2,(H,21,24)/t13-/m0/s1.
What are the key properties of N-[(3S)-8-amino-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]-2-fluoropyridine-3-carboxamide?
N-[(3S)-8-amino-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]-2-fluoropyridine-3-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 1.47, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-8-amino-1-(1,2-oxazol-3-yloxy)-2-oxooctan-3-yl]-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 134356593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).