N-(4-bromo-3-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide

C12H11BrN2O2 — CID 110863086

IUPACN-(4-bromo-3-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cc2ccon2)ccc1Br
InChIInChI=1S/C12H11BrN2O2/c1-8-6-9(2-3-11(8)13)14-12(16)7-10-4-5-17-15-10/h2-6H,7H2,1H3,(H,14,16)
InChIKeyLGGZLXQIFNWXNC-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.93
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide

N-(4-bromo-3-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide (PubChem CID 110863086) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide
PubChem CID110863086
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cc2ccon2)ccc1Br
InChIInChI=1S/C12H11BrN2O2/c1-8-6-9(2-3-11(8)13)14-12(16)7-10-4-5-17-15-10/h2-6H,7H2,1H3,(H,14,16)
InChIKeyLGGZLXQIFNWXNC-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110859681
N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 4798945
N-(4-bromo-3-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8926939
methyl 2-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]phenyl]acetate
CID 75382180
N-(4-bromo-3-methylphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108805971
N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide
CID 2486757
N-(4-bromo-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7959233
N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042249
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
(E)-3-[4-[[2-(1,2-oxazol-3-yl)acetyl]amino]phenyl]prop-2-enoic acid
CID 75513414
N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 75393708
N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917572

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide (CID 110863086) is N-(4-bromo-3-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cc2ccon2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide?
The InChIKey is LGGZLXQIFNWXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-8-6-9(2-3-11(8)13)14-12(16)7-10-4-5-17-15-10/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide?
N-(4-bromo-3-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide has a molecular weight of 295.14 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 110863086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).