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

C12H12BrN3O2 — CID 114327579

IUPAC2-bromo-2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(C)(Br)C(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H12BrN3O2/c1-12(2,13)10(17)14-11-16-15-9(18-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,16,17)
InChIKeyDBNWFWSHKWDQNC-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.85
Rot. Bonds3

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

2-bromo-2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 114327579) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID114327579
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name2-bromo-2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(C)(Br)C(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H12BrN3O2/c1-12(2,13)10(17)14-11-16-15-9(18-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,16,17)
InChIKeyDBNWFWSHKWDQNC-UHFFFAOYSA-N
XLogP2.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.85
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

N-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide
CID 73010503
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3,3-dimethylbutanoate
CID 7950761
4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid
CID 91622666
2,6-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 3518645
N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 16854555
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 41147646
2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 7565083
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-methylpropanoate
CID 7782402
4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45016585
2-methyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16854563
5-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazine-2-carboxamide
CID 107371974

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (CID 114327579) is 2-bromo-2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is CC(C)(Br)C(=O)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-bromo-2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is DBNWFWSHKWDQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-12(2,13)10(17)14-11-16-15-9(18-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,16,17).
What are the key properties of 2-bromo-2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
2-bromo-2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 310.15 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 114327579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).