N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide

C18H18F3N3O3 — CID 18383899

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(Oc2cnc(C(F)(F)F)o2)cc1
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)17-22-9-15(27-17)26-13-3-1-12(2-4-13)16(25)23-14-10-24-7-5-11(14)6-8-24/h1-4,9,11,14H,5-8,10H2,(H,23,25)
InChIKeyOJKCZJOHKHDAHC-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.31
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide (PubChem CID 18383899) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide
PubChem CID18383899
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(Oc2cnc(C(F)(F)F)o2)cc1
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)17-22-9-15(27-17)26-13-3-1-12(2-4-13)16(25)23-14-10-24-7-5-11(14)6-8-24/h1-4,9,11,14H,5-8,10H2,(H,23,25)
InChIKeyOJKCZJOHKHDAHC-UHFFFAOYSA-N
XLogP3.31
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide
CID 10109523
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]oxy]benzamide
CID 18383665
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methoxy-1,3,4-oxadiazol-2-yl)oxy]benzamide
CID 18383923
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[4-(trifluoromethyl)thiophen-2-yl]oxybenzamide
CID 18399895
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(5-methylfuran-2-yl)oxybenzamide
CID 22573289
4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 22897176
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3,4-oxadiazol-2-yloxy)benzamide
CID 18383462
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide
CID 10471783
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1,3,4-oxadiazol-2-yl)oxy]benzamide
CID 18383743
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluorophenoxy)-1,3-oxazole-2-carboxamide
CID 70025865
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(4-cyanofuran-2-yl)oxybenzamide
CID 18383842

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide (CID 18383899) is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide is O=C(NC1CN2CCC1CC2)c1ccc(Oc2cnc(C(F)(F)F)o2)cc1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide?
The InChIKey is OJKCZJOHKHDAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c19-18(20,21)17-22-9-15(27-17)26-13-3-1-12(2-4-13)16(25)23-14-10-24-7-5-11(14)6-8-24/h1-4,9,11,14H,5-8,10H2,(H,23,25).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide has a molecular weight of 381.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide is sourced from PubChem (CID 18383899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).