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

C13H12BrClN2O2 — CID 113226313

IUPAC5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cc(Br)ccc2Cl)oc1C
InChIInChI=1S/C13H12BrClN2O2/c1-7-8(2)19-12(17-7)6-16-13(18)10-5-9(14)3-4-11(10)15/h3-5H,6H2,1-2H3,(H,16,18)
InChIKeyUZYPLVZJMHCWLI-UHFFFAOYSA-N
MW343.61 g/mol
LogP3.64
Rot. Bonds3

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

5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide (PubChem CID 113226313) has the molecular formula C13H12BrClN2O2 and a molecular weight of 343.61 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
PubChem CID113226313
Molecular FormulaC13H12BrClN2O2
Molecular Weight343.61 g/mol
Exact Mass341.98
IUPAC Name5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cc(Br)ccc2Cl)oc1C
InChIInChI=1S/C13H12BrClN2O2/c1-7-8(2)19-12(17-7)6-16-13(18)10-5-9(14)3-4-11(10)15/h3-5H,6H2,1-2H3,(H,16,18)
InChIKeyUZYPLVZJMHCWLI-UHFFFAOYSA-N
XLogP3.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-sulfanylbenzamide
CID 106377769
3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 47344966
2-amino-5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide
CID 106377371
5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 55132827
2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 87043559
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47345240
5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 974886
1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106370599
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961
3-(tert-butylsulfamoyl)-4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 87043611
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103890358
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide
CID 113229810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide (CID 113226313) is 5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide is Cc1nc(CNC(=O)c2cc(Br)ccc2Cl)oc1C.
What is the InChIKey of 5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide?
The InChIKey is UZYPLVZJMHCWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2/c1-7-8(2)19-12(17-7)6-16-13(18)10-5-9(14)3-4-11(10)15/h3-5H,6H2,1-2H3,(H,16,18).
What are the key properties of 5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide?
5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide has a molecular weight of 343.61 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide is sourced from PubChem (CID 113226313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).