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

C17H19N3O2 — CID 59923485

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C17H19N3O2/c21-16(19-14-11-20-8-6-12(14)7-9-20)17-18-10-15(22-17)13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,19,21)/t14-/m0/s1
InChIKeyPURJDKSHFRGHAF-AWEZNQCLSA-N
MW297.36 g/mol
LogP2.17
Rot. Bonds3

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

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide (PubChem CID 59923485) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide
PubChem CID59923485
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C17H19N3O2/c21-16(19-14-11-20-8-6-12(14)7-9-20)17-18-10-15(22-17)13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,19,21)/t14-/m0/s1
InChIKeyPURJDKSHFRGHAF-AWEZNQCLSA-N
XLogP2.17
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-(2-fluorophenyl)-1,3-oxazole-2-carboxamide
CID 20815067
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CID 59113576
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18180723
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluorophenoxy)-1,3-oxazole-2-carboxamide
CID 70025865
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CID 129247135
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CID 69434311
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide
CID 23599456
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-(11C)carboxamide
CID 10041150
N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 59113572
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-phenylpyrazole-1-carboxamide
CID 10085928

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide (CID 59923485) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1ncc(-c2ccccc2)o1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide?
The InChIKey is PURJDKSHFRGHAF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16(19-14-11-20-8-6-12(14)7-9-20)17-18-10-15(22-17)13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 59923485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).