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

C12H12BrN3O2 — CID 114328432

IUPAC2-bromo-2-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCC(C)(Br)C(=O)Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C12H12BrN3O2/c1-12(2,13)11(17)15-9-5-3-8(4-6-9)10-16-14-7-18-10/h3-7H,1-2H3,(H,15,17)
InChIKeyCYHMNZHCUDHBPZ-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.85
Rot. Bonds3

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

2-bromo-2-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide (PubChem CID 114328432) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
PubChem CID114328432
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name2-bromo-2-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCC(C)(Br)C(=O)Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C12H12BrN3O2/c1-12(2,13)11(17)15-9-5-3-8(4-6-9)10-16-14-7-18-10/h3-7H,1-2H3,(H,15,17)
InChIKeyCYHMNZHCUDHBPZ-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

[4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea
CID 169355998
N-(4-chlorophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9073204
5-bromo-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-2-carboxamide
CID 62953575
2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid
CID 66172483
2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940960
6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide
CID 61249051
2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide
CID 114327857
2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329014
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 61275565
N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9075639
2-(cyclopropylmethylamino)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 61274985
benzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 22354178

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The IUPAC name of 2-bromo-2-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide (CID 114328432) is 2-bromo-2-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide is CC(C)(Br)C(=O)Nc1ccc(-c2nnco2)cc1.
What is the InChIKey of 2-bromo-2-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The InChIKey is CYHMNZHCUDHBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-12(2,13)11(17)15-9-5-3-8(4-6-9)10-16-14-7-18-10/h3-7H,1-2H3,(H,15,17).
What are the key properties of 2-bromo-2-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
2-bromo-2-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]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-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 114328432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).