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

C20H24N4O4 — CID 18383823

IUPAC4-[(2-acetamido-1,3-oxazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
SMILESCC(=O)Nc1ncc(Oc2ccc(C(=O)NC3C4CCN(CC4)C3C)cc2)o1
InChIInChI=1S/C20H24N4O4/c1-12-18(14-7-9-24(12)10-8-14)23-19(26)15-3-5-16(6-4-15)27-17-11-21-20(28-17)22-13(2)25/h3-6,11-12,14,18H,7-10H2,1-2H3,(H,23,26)(H,21,22,25)
InChIKeyKOBJMZBCPWFBKF-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.64
Rot. Bonds5

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

4-[(2-acetamido-1,3-oxazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide (PubChem CID 18383823) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[(2-acetamido-1,3-oxazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide.

Molecular Properties

Compound Name4-[(2-acetamido-1,3-oxazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
PubChem CID18383823
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name4-[(2-acetamido-1,3-oxazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
SMILESCC(=O)Nc1ncc(Oc2ccc(C(=O)NC3C4CCN(CC4)C3C)cc2)o1
InChIInChI=1S/C20H24N4O4/c1-12-18(14-7-9-24(12)10-8-14)23-19(26)15-3-5-16(6-4-15)27-17-11-21-20(28-17)22-13(2)25/h3-6,11-12,14,18H,7-10H2,1-2H3,(H,23,26)(H,21,22,25)
InChIKeyKOBJMZBCPWFBKF-UHFFFAOYSA-N
XLogP2.64
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-acetamidofuran-2-yl)oxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 22897048
4-[(5-cyano-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383958
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide
CID 18399841
4-(4-fluorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383576
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]oxy]benzamide
CID 22897002
4-[(2-cyano-1,3-thiazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383246
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]benzamide
CID 22897005
4-[(4-acetyl-1,3-thiazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383486
4-[(5-acetamido-2-pyridinyl)sulfanyl]-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 22897186
4-[(5-methoxy-2-pyridinyl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383251
4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383864
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

Frequently Asked Questions

What is the IUPAC name of 4-[(2-acetamido-1,3-oxazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The IUPAC name of 4-[(2-acetamido-1,3-oxazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide (CID 18383823) is 4-[(2-acetamido-1,3-oxazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide.
What is the SMILES notation for 4-[(2-acetamido-1,3-oxazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The canonical SMILES for 4-[(2-acetamido-1,3-oxazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide is CC(=O)Nc1ncc(Oc2ccc(C(=O)NC3C4CCN(CC4)C3C)cc2)o1.
What is the InChIKey of 4-[(2-acetamido-1,3-oxazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The InChIKey is KOBJMZBCPWFBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-12-18(14-7-9-24(12)10-8-14)23-19(26)15-3-5-16(6-4-15)27-17-11-21-20(28-17)22-13(2)25/h3-6,11-12,14,18H,7-10H2,1-2H3,(H,23,26)(H,21,22,25).
What are the key properties of 4-[(2-acetamido-1,3-oxazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
4-[(2-acetamido-1,3-oxazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide has a molecular weight of 384.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-acetamido-1,3-oxazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide is sourced from PubChem (CID 18383823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).