N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-oxazol-2-yloxy)benzamide

C18H21N3O3 — CID 10149827

IUPACN-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-oxazol-2-yloxy)benzamide
SMILESCC1CC2CCN1CC2NC(=O)c1ccc(Oc2ncco2)cc1
InChIInChI=1S/C18H21N3O3/c1-12-10-14-6-8-21(12)11-16(14)20-17(22)13-2-4-15(5-3-13)24-18-19-7-9-23-18/h2-5,7,9,12,14,16H,6,8,10-11H2,1H3,(H,20,22)
InChIKeyVNSOUGWZVIWIFQ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.68
Rot. Bonds4

About N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-oxazol-2-yloxy)benzamide

N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-oxazol-2-yloxy)benzamide (PubChem CID 10149827) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-oxazol-2-yloxy)benzamide.

Molecular Properties

Compound NameN-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-oxazol-2-yloxy)benzamide
PubChem CID10149827
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-oxazol-2-yloxy)benzamide
SMILESCC1CC2CCN1CC2NC(=O)c1ccc(Oc2ncco2)cc1
InChIInChI=1S/C18H21N3O3/c1-12-10-14-6-8-21(12)11-16(14)20-17(22)13-2-4-15(5-3-13)24-18-19-7-9-23-18/h2-5,7,9,12,14,16H,6,8,10-11H2,1H3,(H,20,22)
InChIKeyVNSOUGWZVIWIFQ-UHFFFAOYSA-N
XLogP2.68
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chloro-2-pyridinyl)oxy]-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 22573635
N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 10172198
4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 10308998
N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(3H-1,2-thiazol-2-ylsulfanyl)benzamide
CID 22573257
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3,4-oxadiazol-2-yloxy)benzamide
CID 18383462
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methoxy-1,3,4-oxadiazol-2-yl)oxy]benzamide
CID 18383923
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-[(4-methoxy-2-pyridinyl)oxy]benzamide
CID 18383331
4-[(4-acetamido-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383298
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]oxy]benzamide
CID 18383665
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-[(4-morpholin-4-yl-1,3-oxazol-2-yl)oxy]benzamide
CID 22897040
4-[(5-cyano-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383958

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-oxazol-2-yloxy)benzamide?
The IUPAC name of N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-oxazol-2-yloxy)benzamide (CID 10149827) is N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-oxazol-2-yloxy)benzamide.
What is the SMILES notation for N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-oxazol-2-yloxy)benzamide?
The canonical SMILES for N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-oxazol-2-yloxy)benzamide is CC1CC2CCN1CC2NC(=O)c1ccc(Oc2ncco2)cc1.
What is the InChIKey of N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-oxazol-2-yloxy)benzamide?
The InChIKey is VNSOUGWZVIWIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-10-14-6-8-21(12)11-16(14)20-17(22)13-2-4-15(5-3-13)24-18-19-7-9-23-18/h2-5,7,9,12,14,16H,6,8,10-11H2,1H3,(H,20,22).
What are the key properties of N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-oxazol-2-yloxy)benzamide?
N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-oxazol-2-yloxy)benzamide has a molecular weight of 327.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-oxazol-2-yloxy)benzamide is sourced from PubChem (CID 10149827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).