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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Related Compounds

5-(2-aminophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide
CID 22350867
5-(4-acetamidophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide
CID 22350832
N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-4-(trifluoromethyl)pyrimidine-2-carboxamide
CID 22243405
2-acetyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)furo[3,2-c]pyridine-6-carboxamide
CID 22389462
N-(2-azabicyclo[2.2.1]heptan-6-yl)furo[2,3-c]pyridine-5-carboxamide
CID 22389421
N-(2-azabicyclo[2.2.1]heptan-6-yl)-7-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 22566092
N-[(1R,4R,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 99719190
N-[(1R,4S,6S)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-c]pyrimidine-7-carboxamide
CID 99719189
N-[(1S,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-a]pyrazine-6-carboxamide
CID 98077691
N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-a]pyrazine-6-carboxamide
CID 99719176
N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide
CID 10214645
N-[(1R,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-c]pyrimidine-7-carboxamide
CID 99719181

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).