4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide

C12H11BrN2O2 — CID 102850771

IUPAC4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(CBr)cc2)on1
InChIInChI=1S/C12H11BrN2O2/c1-8-6-11(17-15-8)14-12(16)10-4-2-9(7-13)3-5-10/h2-6H,7H2,1H3,(H,14,16)
InChIKeyWLCBKSBRQAYZJX-UHFFFAOYSA-N
MW295.14 g/mol
LogP3.13
Rot. Bonds3

About 4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide

4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide (PubChem CID 102850771) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
PubChem CID102850771
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(CBr)cc2)on1
InChIInChI=1S/C12H11BrN2O2/c1-8-6-11(17-15-8)14-12(16)10-4-2-9(7-13)3-5-10/h2-6H,7H2,1H3,(H,14,16)
InChIKeyWLCBKSBRQAYZJX-UHFFFAOYSA-N
XLogP3.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide (CID 102850771) is 4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide is Cc1cc(NC(=O)c2ccc(CBr)cc2)on1.
What is the InChIKey of 4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is WLCBKSBRQAYZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-8-6-11(17-15-8)14-12(16)10-4-2-9(7-13)3-5-10/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of 4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 295.14 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 102850771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).