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

C11H10BrN3O2 — CID 63681213

IUPAC2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCc1cc(-c2nnco2)ccc1NC(=O)CBr
InChIInChI=1S/C11H10BrN3O2/c1-7-4-8(11-15-13-6-17-11)2-3-9(7)14-10(16)5-12/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyBLZZBPHXQWEVAL-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.38
Rot. Bonds3

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

2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide (PubChem CID 63681213) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
PubChem CID63681213
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCc1cc(-c2nnco2)ccc1NC(=O)CBr
InChIInChI=1S/C11H10BrN3O2/c1-7-4-8(11-15-13-6-17-11)2-3-9(7)14-10(16)5-12/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyBLZZBPHXQWEVAL-UHFFFAOYSA-N
XLogP2.38
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.38
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-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate
CID 79345905
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
2-amino-4-methyl-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 43713909
2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate
CID 65173469
4-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 60842599
2-(azetidin-3-ylidene)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 116675868
N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide
CID 64585706
methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate
CID 66174734
5-amino-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 82013593
N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 51090247
2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735645

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide (CID 63681213) is 2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide is Cc1cc(-c2nnco2)ccc1NC(=O)CBr.
What is the InChIKey of 2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The InChIKey is BLZZBPHXQWEVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-7-4-8(11-15-13-6-17-11)2-3-9(7)14-10(16)5-12/h2-4,6H,5H2,1H3,(H,14,16).
What are the key properties of 2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide has a molecular weight of 296.12 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 63681213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).