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

C13H12BrFN2O2 — CID 103707100

IUPAC3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide
SMILESCc1noc(C)c1CNC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H12BrFN2O2/c1-7-10(8(2)19-17-7)6-16-13(18)9-3-4-12(15)11(14)5-9/h3-5H,6H2,1-2H3,(H,16,18)
InChIKeyQVJOPDSYYBYPOI-UHFFFAOYSA-N
MW327.15 g/mol
LogP3.12
Rot. Bonds3

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

3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide (PubChem CID 103707100) has the molecular formula C13H12BrFN2O2 and a molecular weight of 327.15 g/mol. Its IUPAC name is 3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide
PubChem CID103707100
Molecular FormulaC13H12BrFN2O2
Molecular Weight327.15 g/mol
Exact Mass326.01
IUPAC Name3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide
SMILESCc1noc(C)c1CNC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H12BrFN2O2/c1-7-10(8(2)19-17-7)6-16-13(18)9-3-4-12(15)11(14)5-9/h3-5H,6H2,1-2H3,(H,16,18)
InChIKeyQVJOPDSYYBYPOI-UHFFFAOYSA-N
XLogP3.12
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-nitrobenzamide
CID 47862981
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
CID 47861733
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 104627877
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
CID 79241601
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide
CID 110730995
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-2-methylbenzamide
CID 112702398
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide
CID 112528639
4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 167929370
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-[(2-fluorophenyl)methyl]benzamide
CID 51121696
5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide
CID 102705730
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103865338
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzamide
CID 47861608

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide (CID 103707100) is 3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide is Cc1noc(C)c1CNC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide?
The InChIKey is QVJOPDSYYBYPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2/c1-7-10(8(2)19-17-7)6-16-13(18)9-3-4-12(15)11(14)5-9/h3-5H,6H2,1-2H3,(H,16,18).
What are the key properties of 3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide?
3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide has a molecular weight of 327.15 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 103707100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).