2-bromo-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide

C13H13BrN2O2 — CID 60659313

IUPAC2-bromo-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide
SMILESCC(C)c1cc(NC(=O)c2ccccc2Br)on1
InChIInChI=1S/C13H13BrN2O2/c1-8(2)11-7-12(18-16-11)15-13(17)9-5-3-4-6-10(9)14/h3-8H,1-2H3,(H,15,17)
InChIKeyVDWSLHYFLZTCAB-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.81
Rot. Bonds3

About 2-bromo-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide

2-bromo-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide (PubChem CID 60659313) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-bromo-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide
PubChem CID60659313
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-bromo-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide
SMILESCC(C)c1cc(NC(=O)c2ccccc2Br)on1
InChIInChI=1S/C13H13BrN2O2/c1-8(2)11-7-12(18-16-11)15-13(17)9-5-3-4-6-10(9)14/h3-8H,1-2H3,(H,15,17)
InChIKeyVDWSLHYFLZTCAB-UHFFFAOYSA-N
XLogP3.81
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide
CID 60707770
2,3-difluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-4-carboxamide
CID 105380929
2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 11097996
2-amino-N-(3-phenyl-1,2-oxazol-5-yl)benzamide
CID 10826519
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587
2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 2184947
2-[(2-bromobenzoyl)amino]-N-(3-methylbutan-2-yl)benzamide
CID 78791630
2-bromo-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17094028
2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide
CID 78778624
2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747821
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 2-bromo-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide (CID 60659313) is 2-bromo-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 2-bromo-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide is CC(C)c1cc(NC(=O)c2ccccc2Br)on1.
What is the InChIKey of 2-bromo-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide?
The InChIKey is VDWSLHYFLZTCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-8(2)11-7-12(18-16-11)15-13(17)9-5-3-4-6-10(9)14/h3-8H,1-2H3,(H,15,17).
What are the key properties of 2-bromo-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide?
2-bromo-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide has a molecular weight of 309.16 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 60659313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).