5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide

C17H19FN4O2 — CID 18181818

IUPAC5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide
SMILESCC1C(NC(=O)c2ncc(-c3cccnc3F)o2)C2CCN1CC2
InChIInChI=1S/C17H19FN4O2/c1-10-14(11-4-7-22(10)8-5-11)21-16(23)17-20-9-13(24-17)12-3-2-6-19-15(12)18/h2-3,6,9-11,14H,4-5,7-8H2,1H3,(H,21,23)
InChIKeyIDJHTMNJOPHUGV-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.09
Rot. Bonds3

About 5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide

5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide (PubChem CID 18181818) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide
PubChem CID18181818
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide
SMILESCC1C(NC(=O)c2ncc(-c3cccnc3F)o2)C2CCN1CC2
InChIInChI=1S/C17H19FN4O2/c1-10-14(11-4-7-22(10)8-5-11)21-16(23)17-20-9-13(24-17)12-3-2-6-19-15(12)18/h2-3,6,9-11,14H,4-5,7-8H2,1H3,(H,21,23)
InChIKeyIDJHTMNJOPHUGV-UHFFFAOYSA-N
XLogP2.09
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide (CID 18181818) is 5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide is CC1C(NC(=O)c2ncc(-c3cccnc3F)o2)C2CCN1CC2.
What is the InChIKey of 5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide?
The InChIKey is IDJHTMNJOPHUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-10-14(11-4-7-22(10)8-5-11)21-16(23)17-20-9-13(24-17)12-3-2-6-19-15(12)18/h2-3,6,9-11,14H,4-5,7-8H2,1H3,(H,21,23).
What are the key properties of 5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide?
5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 18181818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).