2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

C6H8BrN3O2 — CID 106395520

IUPAC2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(Br)C(=O)NCc1ncon1
InChIInChI=1S/C6H8BrN3O2/c1-4(7)6(11)8-2-5-9-3-12-10-5/h3-4H,2H2,1H3,(H,8,11)
InChIKeyINKYDPJVQNSWND-UHFFFAOYSA-N
MW234.05 g/mol
LogP0.47
Rot. Bonds3

About 2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (PubChem CID 106395520) has the molecular formula C6H8BrN3O2 and a molecular weight of 234.05 g/mol. Its IUPAC name is 2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
PubChem CID106395520
Molecular FormulaC6H8BrN3O2
Molecular Weight234.05 g/mol
Exact Mass232.98
IUPAC Name2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(Br)C(=O)NCc1ncon1
InChIInChI=1S/C6H8BrN3O2/c1-4(7)6(11)8-2-5-9-3-12-10-5/h3-4H,2H2,1H3,(H,8,11)
InChIKeyINKYDPJVQNSWND-UHFFFAOYSA-N
XLogP0.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.05
LogP ≤ 50.47
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

(2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106397147
2-(1,2,4-oxadiazol-3-ylmethylamino)-2-oxoacetic acid
CID 106406078
2-chloro-N-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)propanamide
CID 106405226
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106396857
N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide
CID 106398468
2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 43467351
2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenylacetamide
CID 106397092
2-[1,2,4-oxadiazol-3-ylmethylcarbamoyl(propan-2-yl)amino]acetic acid
CID 106403446
4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid
CID 106403252
3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid
CID 106399040
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106395575
2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 106398580

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The IUPAC name of 2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (CID 106395520) is 2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.
What is the SMILES notation for 2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The canonical SMILES for 2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is CC(Br)C(=O)NCc1ncon1.
What is the InChIKey of 2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The InChIKey is INKYDPJVQNSWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O2/c1-4(7)6(11)8-2-5-9-3-12-10-5/h3-4H,2H2,1H3,(H,8,11).
What are the key properties of 2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide has a molecular weight of 234.05 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is sourced from PubChem (CID 106395520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).