4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide

C25H36N3O3+ — CID 2579916

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C25H35N3O3/c1-19-23(20(2)31-27-19)17-30-22-11-9-21(10-12-22)24(29)26-18-25(13-5-3-6-14-25)28-15-7-4-8-16-28/h9-12H,3-8,13-18H2,1-2H3,(H,26,29)/p+1
InChIKeyFWGKWSCBVYYIFE-UHFFFAOYSA-O
MW426.58 g/mol
LogP3.37
Rot. Bonds7

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide (PubChem CID 2579916) has the molecular formula C25H36N3O3+ and a molecular weight of 426.58 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
PubChem CID2579916
Molecular FormulaC25H36N3O3+
Molecular Weight426.58 g/mol
Exact Mass426.28
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C25H35N3O3/c1-19-23(20(2)31-27-19)17-30-22-11-9-21(10-12-22)24(29)26-18-25(13-5-3-6-14-25)28-15-7-4-8-16-28/h9-12H,3-8,13-18H2,1-2H3,(H,26,29)/p+1
InChIKeyFWGKWSCBVYYIFE-UHFFFAOYSA-O
XLogP3.37
TPSA68.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide with MolForge

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 2536445
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 7535370
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 7971440
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-piperidin-1-ylpropyl)benzamide
CID 31093025
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 30593708
4-methylsulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
CID 2579925
N-[2-(cyclohexen-1-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 25163593
N'-(cyclopropanecarbonyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 34259031
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111448110
N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78781700
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 9292301
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55728150

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide (CID 2579916) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide is Cc1noc(C)c1COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is FWGKWSCBVYYIFE-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H35N3O3/c1-19-23(20(2)31-27-19)17-30-22-11-9-21(10-12-22)24(29)26-18-25(13-5-3-6-14-25)28-15-7-4-8-16-28/h9-12H,3-8,13-18H2,1-2H3,(H,26,29)/p+1.
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 426.58 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 2579916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).