2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide

C9H14BrN3O2 — CID 106415376

IUPAC2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
SMILESCCC(Br)C(=O)NCCc1nc(C)no1
InChIInChI=1S/C9H14BrN3O2/c1-3-7(10)9(14)11-5-4-8-12-6(2)13-15-8/h7H,3-5H2,1-2H3,(H,11,14)
InChIKeyQTDTYFLMRIVSTN-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.21
Rot. Bonds5

About 2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide

2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide (PubChem CID 106415376) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is 2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
PubChem CID106415376
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Name2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
SMILESCCC(Br)C(=O)NCCc1nc(C)no1
InChIInChI=1S/C9H14BrN3O2/c1-3-7(10)9(14)11-5-4-8-12-6(2)13-15-8/h7H,3-5H2,1-2H3,(H,11,14)
InChIKeyQTDTYFLMRIVSTN-UHFFFAOYSA-N
XLogP1.21
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796130
2-(aminomethyl)-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 107269486
2-iodo-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 89148487
3-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106415377
3-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 106416458
2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 106417471
3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103810155
3-(ethylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106416378
1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111121157
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416404
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106420746
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416348

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The IUPAC name of 2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide (CID 106415376) is 2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The canonical SMILES for 2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide is CCC(Br)C(=O)NCCc1nc(C)no1.
What is the InChIKey of 2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The InChIKey is QTDTYFLMRIVSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-3-7(10)9(14)11-5-4-8-12-6(2)13-15-8/h7H,3-5H2,1-2H3,(H,11,14).
What are the key properties of 2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide has a molecular weight of 276.13 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 106415376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).