N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide

C10H12ClN3O2 — CID 22350376

IUPACN-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CC2CNC1C2)c1ncc(Cl)o1
InChIInChI=1S/C10H12ClN3O2/c11-8-4-13-10(16-8)9(15)14-7-2-5-1-6(7)12-3-5/h4-7,12H,1-3H2,(H,14,15)
InChIKeyAFKWHSLVGIGYFY-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.81
Rot. Bonds2

About N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide

N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide (PubChem CID 22350376) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide
PubChem CID22350376
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CC2CNC1C2)c1ncc(Cl)o1
InChIInChI=1S/C10H12ClN3O2/c11-8-4-13-10(16-8)9(15)14-7-2-5-1-6(7)12-3-5/h4-7,12H,1-3H2,(H,14,15)
InChIKeyAFKWHSLVGIGYFY-UHFFFAOYSA-N
XLogP0.81
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide (CID 22350376) is N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide is O=C(NC1CC2CNC1C2)c1ncc(Cl)o1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide?
The InChIKey is AFKWHSLVGIGYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-8-4-13-10(16-8)9(15)14-7-2-5-1-6(7)12-3-5/h4-7,12H,1-3H2,(H,14,15).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide has a molecular weight of 241.68 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 22350376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).