N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide

C17H21N3O3 — CID 46987339

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccccc1C(=O)N(C)Cc1noc(CC)n1
InChIInChI=1S/C17H21N3O3/c1-5-16-18-15(19-23-16)10-20(4)17(21)13-8-6-7-9-14(13)22-11-12(2)3/h6-9H,2,5,10-11H2,1,3-4H3
InChIKeyPNTBGXJZGVPZPA-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.86
Rot. Bonds7

About N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide (PubChem CID 46987339) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide
PubChem CID46987339
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccccc1C(=O)N(C)Cc1noc(CC)n1
InChIInChI=1S/C17H21N3O3/c1-5-16-18-15(19-23-16)10-20(4)17(21)13-8-6-7-9-14(13)22-11-12(2)3/h6-9H,2,5,10-11H2,1,3-4H3
InChIKeyPNTBGXJZGVPZPA-UHFFFAOYSA-N
XLogP2.86
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8875070
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-methylprop-2-enoxy)benzamide
CID 46993244
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70745592
N-methyl-2-(2-methylprop-2-enoxy)-N-(2-morpholin-4-ylpropyl)benzamide
CID 46983829
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 52886359
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide
CID 46998485
ethyl 2-[2-(2-methylprop-2-enoxy)phenyl]-2-oxoacetate
CID 117373306
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
2-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 70770992
2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 46982086
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorobenzoic acid
CID 115297819
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide
CID 56509182

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide (CID 46987339) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1ccccc1C(=O)N(C)Cc1noc(CC)n1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide?
The InChIKey is PNTBGXJZGVPZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-5-16-18-15(19-23-16)10-20(4)17(21)13-8-6-7-9-14(13)22-11-12(2)3/h6-9H,2,5,10-11H2,1,3-4H3.
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide has a molecular weight of 315.37 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 46987339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).