N-methyl-3-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethyl]benzamide

C21H23N3O2 — CID 71858009

IUPACN-methyl-3-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethyl]benzamide
SMILESCNC(=O)c1cccc(CCNCc2coc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C21H23N3O2/c1-15-6-8-17(9-7-15)21-24-19(14-26-21)13-23-11-10-16-4-3-5-18(12-16)20(25)22-2/h3-9,12,14,23H,10-11,13H2,1-2H3,(H,22,25)
InChIKeyYVMIOUXZOCIQSZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.34
Rot. Bonds7

About N-methyl-3-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethyl]benzamide

N-methyl-3-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethyl]benzamide (PubChem CID 71858009) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-methyl-3-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethyl]benzamide
PubChem CID71858009
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-methyl-3-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethyl]benzamide
SMILESCNC(=O)c1cccc(CCNCc2coc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C21H23N3O2/c1-15-6-8-17(9-7-15)21-24-19(14-26-21)13-23-11-10-16-4-3-5-18(12-16)20(25)22-2/h3-9,12,14,23H,10-11,13H2,1-2H3,(H,22,25)
InChIKeyYVMIOUXZOCIQSZ-UHFFFAOYSA-N
XLogP3.34
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethyl]benzamide?
The IUPAC name of N-methyl-3-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethyl]benzamide (CID 71858009) is N-methyl-3-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethyl]benzamide.
What is the SMILES notation for N-methyl-3-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethyl]benzamide?
The canonical SMILES for N-methyl-3-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethyl]benzamide is CNC(=O)c1cccc(CCNCc2coc(-c3ccc(C)cc3)n2)c1.
What is the InChIKey of N-methyl-3-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethyl]benzamide?
The InChIKey is YVMIOUXZOCIQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-6-8-17(9-7-15)21-24-19(14-26-21)13-23-11-10-16-4-3-5-18(12-16)20(25)22-2/h3-9,12,14,23H,10-11,13H2,1-2H3,(H,22,25).
What are the key properties of N-methyl-3-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethyl]benzamide?
N-methyl-3-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethyl]benzamide is sourced from PubChem (CID 71858009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).