5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide

C17H19FN4O2 — CID 18181896

IUPAC5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide
SMILESCC1C(NC(=O)c2ncc(-c3cnccc3F)o2)C2CCN1CC2
InChIInChI=1S/C17H19FN4O2/c1-10-15(11-3-6-22(10)7-4-11)21-16(23)17-20-9-14(24-17)12-8-19-5-2-13(12)18/h2,5,8-11,15H,3-4,6-7H2,1H3,(H,21,23)
InChIKeyVKAVCRDYEWLREY-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.09
Rot. Bonds3

About 5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide

5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide (PubChem CID 18181896) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide
PubChem CID18181896
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide
SMILESCC1C(NC(=O)c2ncc(-c3cnccc3F)o2)C2CCN1CC2
InChIInChI=1S/C17H19FN4O2/c1-10-15(11-3-6-22(10)7-4-11)21-16(23)17-20-9-14(24-17)12-8-19-5-2-13(12)18/h2,5,8-11,15H,3-4,6-7H2,1H3,(H,21,23)
InChIKeyVKAVCRDYEWLREY-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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide (CID 18181896) is 5-(4-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-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide is CC1C(NC(=O)c2ncc(-c3cnccc3F)o2)C2CCN1CC2.
What is the InChIKey of 5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide?
The InChIKey is VKAVCRDYEWLREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-10-15(11-3-6-22(10)7-4-11)21-16(23)17-20-9-14(24-17)12-8-19-5-2-13(12)18/h2,5,8-11,15H,3-4,6-7H2,1H3,(H,21,23).
What are the key properties of 5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide?
5-(4-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-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 18181896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).