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

C16H17FN4O2 — CID 18181000

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(5-fluoro-3-pyridinyl)-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ncc(-c2cncc(F)c2)o1
InChIInChI=1S/C16H17FN4O2/c17-12-5-11(6-18-7-12)14-8-19-16(23-14)15(22)20-13-9-21-3-1-10(13)2-4-21/h5-8,10,13H,1-4,9H2,(H,20,22)
InChIKeyMQSXJEQEVKBRKG-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.70
Rot. Bonds3

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

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(5-fluoro-3-pyridinyl)-1,3-oxazole-2-carboxamide (PubChem CID 18181000) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(5-fluoro-3-pyridinyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(5-fluoro-3-pyridinyl)-1,3-oxazole-2-carboxamide
PubChem CID18181000
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(5-fluoro-3-pyridinyl)-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ncc(-c2cncc(F)c2)o1
InChIInChI=1S/C16H17FN4O2/c17-12-5-11(6-18-7-12)14-8-19-16(23-14)15(22)20-13-9-21-3-1-10(13)2-4-21/h5-8,10,13H,1-4,9H2,(H,20,22)
InChIKeyMQSXJEQEVKBRKG-UHFFFAOYSA-N
XLogP1.70
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(5-fluoro-3-pyridinyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(5-fluoro-3-pyridinyl)-1,3-oxazole-2-carboxamide (CID 18181000) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(5-fluoro-3-pyridinyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(5-fluoro-3-pyridinyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(5-fluoro-3-pyridinyl)-1,3-oxazole-2-carboxamide is O=C(NC1CN2CCC1CC2)c1ncc(-c2cncc(F)c2)o1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(5-fluoro-3-pyridinyl)-1,3-oxazole-2-carboxamide?
The InChIKey is MQSXJEQEVKBRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c17-12-5-11(6-18-7-12)14-8-19-16(23-14)15(22)20-13-9-21-3-1-10(13)2-4-21/h5-8,10,13H,1-4,9H2,(H,20,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(5-fluoro-3-pyridinyl)-1,3-oxazole-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(5-fluoro-3-pyridinyl)-1,3-oxazole-2-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(5-fluoro-3-pyridinyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 18181000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).