N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

C12H21N3O2 — CID 113232050

IUPACN-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCC(CC)CNC(=O)CCc1nc(C)no1
InChIInChI=1S/C12H21N3O2/c1-4-10(5-2)8-13-11(16)6-7-12-14-9(3)15-17-12/h10H,4-8H2,1-3H3,(H,13,16)
InChIKeyRGJXVNWJYKSSQF-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.86
Rot. Bonds7

About N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 113232050) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID113232050
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCC(CC)CNC(=O)CCc1nc(C)no1
InChIInChI=1S/C12H21N3O2/c1-4-10(5-2)8-13-11(16)6-7-12-14-9(3)15-17-12/h10H,4-8H2,1-3H3,(H,13,16)
InChIKeyRGJXVNWJYKSSQF-UHFFFAOYSA-N
XLogP1.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]pentanoic acid
CID 65218977
N-(2-hydroxy-4-methylpentyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 103771595
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726364
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-phenylpropanoic acid
CID 119254469
ethyl (2S)-2-(2-adamantyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoate
CID 124888384
3-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 106416458
N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 111112198
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 114751674
1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 58326632
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78956882
1-(2-ethylbutyl)-2-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]guanidine;hydroiodide
CID 111891780
3-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106415377

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 113232050) is N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is CCC(CC)CNC(=O)CCc1nc(C)no1.
What is the InChIKey of N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is RGJXVNWJYKSSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-10(5-2)8-13-11(16)6-7-12-14-9(3)15-17-12/h10H,4-8H2,1-3H3,(H,13,16).
What are the key properties of N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 239.32 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 113232050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).