3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide

C11H10BrN3O2 — CID 114011357

IUPAC3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide
SMILESCc1c(N)cc(Br)cc1C(=O)Nc1cnoc1
InChIInChI=1S/C11H10BrN3O2/c1-6-9(2-7(12)3-10(6)13)11(16)15-8-4-14-17-5-8/h2-5H,13H2,1H3,(H,15,16)
InChIKeyDTERXXPJBYVCNW-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.58
Rot. Bonds2

About 3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide

3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide (PubChem CID 114011357) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide
PubChem CID114011357
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide
SMILESCc1c(N)cc(Br)cc1C(=O)Nc1cnoc1
InChIInChI=1S/C11H10BrN3O2/c1-6-9(2-7(12)3-10(6)13)11(16)15-8-4-14-17-5-8/h2-5H,13H2,1H3,(H,15,16)
InChIKeyDTERXXPJBYVCNW-UHFFFAOYSA-N
XLogP2.58
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 62902054
3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide
CID 107872101
3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide
CID 107872023
3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide
CID 107872119
3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107872490
3-amino-5-bromo-N-(3,4-difluorophenyl)-2-methylbenzamide
CID 107872055
3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide
CID 107872932
3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide
CID 107872270
4-bromo-2-fluoro-N-(1,2-oxazol-4-yl)benzamide
CID 55210684
2-amino-4-chloro-N-(1,2-oxazol-4-yl)benzamide
CID 62902220
3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide
CID 107873288
3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
CID 107873304

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide?
The IUPAC name of 3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide (CID 114011357) is 3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide.
What is the SMILES notation for 3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide?
The canonical SMILES for 3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide is Cc1c(N)cc(Br)cc1C(=O)Nc1cnoc1.
What is the InChIKey of 3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide?
The InChIKey is DTERXXPJBYVCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-6-9(2-7(12)3-10(6)13)11(16)15-8-4-14-17-5-8/h2-5H,13H2,1H3,(H,15,16).
What are the key properties of 3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide?
3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide has a molecular weight of 296.12 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide is sourced from PubChem (CID 114011357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).