N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide

C13H14N4O2 — CID 92974579

IUPACN-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2C[C@@H]1CN2)c1cc2ncoc2cn1
InChIInChI=1S/C13H14N4O2/c18-13(17-9-2-8-1-7(9)4-14-8)11-3-10-12(5-15-11)19-6-16-10/h3,5-9,14H,1-2,4H2,(H,17,18)/t7-,8-,9-/m1/s1
InChIKeyAOYHVBVYHJRMAT-IWSPIJDZSA-N
MW258.28 g/mol
LogP0.70
Rot. Bonds2

About N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide

N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide (PubChem CID 92974579) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide
PubChem CID92974579
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2C[C@@H]1CN2)c1cc2ncoc2cn1
InChIInChI=1S/C13H14N4O2/c18-13(17-9-2-8-1-7(9)4-14-8)11-3-10-12(5-15-11)19-6-16-10/h3,5-9,14H,1-2,4H2,(H,17,18)/t7-,8-,9-/m1/s1
InChIKeyAOYHVBVYHJRMAT-IWSPIJDZSA-N
XLogP0.70
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
CID 10107234
N-(1-azabicyclo[3.2.1]octan-3-yl)furo[2,3-c]pyridine-5-carboxamide
CID 9856719
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(3,3,3-trifluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide
CID 20806921
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(3,3-difluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide
CID 20806923
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-fluorofuro[2,3-c]pyridine-5-carboxamide
CID 20806935
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[(2,2,2-trifluoroacetyl)amino]furo[2,3-c]pyridine-5-carboxamide
CID 20806955
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide
CID 20806959
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-fluorofuro[2,3-c]pyridine-5-carboxamide
CID 22389062
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3,3-difluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide
CID 22389128
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide
CID 22389148
N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-fluorofuro[2,3-c]pyridine-5-carboxamide
CID 22389265
N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide
CID 22389304

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide?
The IUPAC name of N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide (CID 92974579) is N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide is O=C(N[C@@H]1C[C@H]2C[C@@H]1CN2)c1cc2ncoc2cn1.
What is the InChIKey of N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide?
The InChIKey is AOYHVBVYHJRMAT-IWSPIJDZSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-13(17-9-2-8-1-7(9)4-14-8)11-3-10-12(5-15-11)19-6-16-10/h3,5-9,14H,1-2,4H2,(H,17,18)/t7-,8-,9-/m1/s1.
What are the key properties of N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide?
N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide is sourced from PubChem (CID 92974579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).