2-bromo-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide

C12H11BrN2O2 — CID 110671174

IUPAC2-bromo-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide
SMILESCc1ncoc1CNC(=O)c1ccccc1Br
InChIInChI=1S/C12H11BrN2O2/c1-8-11(17-7-15-8)6-14-12(16)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3,(H,14,16)
InChIKeyXSWCAKQIFWEUTK-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.68
Rot. Bonds3

About 2-bromo-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide

2-bromo-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide (PubChem CID 110671174) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-bromo-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide
PubChem CID110671174
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name2-bromo-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide
SMILESCc1ncoc1CNC(=O)c1ccccc1Br
InChIInChI=1S/C12H11BrN2O2/c1-8-11(17-7-15-8)6-14-12(16)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3,(H,14,16)
InChIKeyXSWCAKQIFWEUTK-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide?
The IUPAC name of 2-bromo-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide (CID 110671174) is 2-bromo-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide is Cc1ncoc1CNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide?
The InChIKey is XSWCAKQIFWEUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-8-11(17-7-15-8)6-14-12(16)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3,(H,14,16).
What are the key properties of 2-bromo-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide?
2-bromo-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide has a molecular weight of 295.14 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 110671174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).