N-(4-bromophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide

C13H13BrN2O2 — CID 110680134

IUPACN-(4-bromophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)Nc2ccc(Br)cc2)o1
InChIInChI=1S/C13H13BrN2O2/c1-8-12(18-9(2)15-8)7-13(17)16-11-5-3-10(14)4-6-11/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyPFKFWGMOLXLPOL-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.24
Rot. Bonds3

About N-(4-bromophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide

N-(4-bromophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide (PubChem CID 110680134) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
PubChem CID110680134
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC NameN-(4-bromophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)Nc2ccc(Br)cc2)o1
InChIInChI=1S/C13H13BrN2O2/c1-8-12(18-9(2)15-8)7-13(17)16-11-5-3-10(14)4-6-11/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyPFKFWGMOLXLPOL-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680155
N-(4-bromophenyl)-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110650188
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680187
2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)acetamide
CID 110680104
2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(4-chlorophenyl)acetamide
CID 84576925
N-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110421673
2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 84575416
N-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680084
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
N-(4-ethylphenyl)-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110649816
2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 110680192
2-(4-bromophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 2268328

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide (CID 110680134) is N-(4-bromophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide is Cc1nc(C)c(CC(=O)Nc2ccc(Br)cc2)o1.
What is the InChIKey of N-(4-bromophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide?
The InChIKey is PFKFWGMOLXLPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-8-12(18-9(2)15-8)7-13(17)16-11-5-3-10(14)4-6-11/h3-6H,7H2,1-2H3,(H,16,17).
What are the key properties of N-(4-bromophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide?
N-(4-bromophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide has a molecular weight of 309.16 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide is sourced from PubChem (CID 110680134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).