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

C17H18FN3O3 — CID 70025865

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluorophenoxy)-1,3-oxazole-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ncc(Oc2cccc(F)c2)o1
InChIInChI=1S/C17H18FN3O3/c18-12-2-1-3-13(8-12)23-15-9-19-17(24-15)16(22)20-14-10-21-6-4-11(14)5-7-21/h1-3,8-9,11,14H,4-7,10H2,(H,20,22)/t14-/m0/s1
InChIKeyPWMUWZXJFWJEDP-AWEZNQCLSA-N
MW331.35 g/mol
LogP2.43
Rot. Bonds4

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

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluorophenoxy)-1,3-oxazole-2-carboxamide (PubChem CID 70025865) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluorophenoxy)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluorophenoxy)-1,3-oxazole-2-carboxamide
PubChem CID70025865
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluorophenoxy)-1,3-oxazole-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ncc(Oc2cccc(F)c2)o1
InChIInChI=1S/C17H18FN3O3/c18-12-2-1-3-13(8-12)23-15-9-19-17(24-15)16(22)20-14-10-21-6-4-11(14)5-7-21/h1-3,8-9,11,14H,4-7,10H2,(H,20,22)/t14-/m0/s1
InChIKeyPWMUWZXJFWJEDP-AWEZNQCLSA-N
XLogP2.43
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluorophenoxy)-1,3-oxazole-2-carboxamide with MolForge

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide
CID 18383899
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-(2-fluorophenyl)-1,3-oxazole-2-carboxamide
CID 20815067
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(6-fluoro-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 18180464
bis(3-fluorophenyl)methyl N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamate
CID 66575633
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxyphenoxy)benzamide
CID 10154995
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)furan-2-carboxamide
CID 18181590
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 18181918
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(6-fluoro-2-pyridinyl)-1H-pyrrole-2-carboxamide
CID 18337414
4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 10308998
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 10154517
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 18181920
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromopyridine-3-carboxamide
CID 66464440

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluorophenoxy)-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluorophenoxy)-1,3-oxazole-2-carboxamide (CID 70025865) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluorophenoxy)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluorophenoxy)-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluorophenoxy)-1,3-oxazole-2-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1ncc(Oc2cccc(F)c2)o1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluorophenoxy)-1,3-oxazole-2-carboxamide?
The InChIKey is PWMUWZXJFWJEDP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-12-2-1-3-13(8-12)23-15-9-19-17(24-15)16(22)20-14-10-21-6-4-11(14)5-7-21/h1-3,8-9,11,14H,4-7,10H2,(H,20,22)/t14-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluorophenoxy)-1,3-oxazole-2-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluorophenoxy)-1,3-oxazole-2-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluorophenoxy)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 70025865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).