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

C17H21N3O3 — CID 46993244

IUPACN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccccc1C(=O)NC(CC)c1nc(C)no1
InChIInChI=1S/C17H21N3O3/c1-5-14(17-18-12(4)20-23-17)19-16(21)13-8-6-7-9-15(13)22-10-11(2)3/h6-9,14H,2,5,10H2,1,3-4H3,(H,19,21)
InChIKeyALASRVFGFYPIQO-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.21
Rot. Bonds7

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

N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-methylprop-2-enoxy)benzamide (PubChem CID 46993244) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-methylprop-2-enoxy)benzamide
PubChem CID46993244
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccccc1C(=O)NC(CC)c1nc(C)no1
InChIInChI=1S/C17H21N3O3/c1-5-14(17-18-12(4)20-23-17)19-16(21)13-8-6-7-9-15(13)22-10-11(2)3/h6-9,14H,2,5,10H2,1,3-4H3,(H,19,21)
InChIKeyALASRVFGFYPIQO-UHFFFAOYSA-N
XLogP3.21
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 125448468
2-(2-ethylphenoxy)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 94820638
2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 46982086
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 91769195
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide
CID 46987339
4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 126448858
ethyl 2-[2-(2-methylprop-2-enoxy)phenyl]-2-oxoacetate
CID 117373306
N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130408
N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130400
2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid
CID 119224012
4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 91760035
2-(2-methylpropoxy)-N-(1-phenylpropyl)benzamide
CID 43911530

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-methylprop-2-enoxy)benzamide (CID 46993244) is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1ccccc1C(=O)NC(CC)c1nc(C)no1.
What is the InChIKey of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-methylprop-2-enoxy)benzamide?
The InChIKey is ALASRVFGFYPIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-5-14(17-18-12(4)20-23-17)19-16(21)13-8-6-7-9-15(13)22-10-11(2)3/h6-9,14H,2,5,10H2,1,3-4H3,(H,19,21).
What are the key properties of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-methylprop-2-enoxy)benzamide?
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-methylprop-2-enoxy)benzamide has a molecular weight of 315.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 46993244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).