5-bromo-2-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline

C11H11BrN2O — CID 107874095

IUPAC5-bromo-2-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline
SMILESCc1coc(-c2cc(Br)cc(N)c2C)n1
InChIInChI=1S/C11H11BrN2O/c1-6-5-15-11(14-6)9-3-8(12)4-10(13)7(9)2/h3-5H,13H2,1-2H3
InChIKeyCBLBRWWNWMHDMS-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.30
Rot. Bonds1

About 5-bromo-2-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline

5-bromo-2-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline (PubChem CID 107874095) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound Name5-bromo-2-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline
PubChem CID107874095
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name5-bromo-2-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline
SMILESCc1coc(-c2cc(Br)cc(N)c2C)n1
InChIInChI=1S/C11H11BrN2O/c1-6-5-15-11(14-6)9-3-8(12)4-10(13)7(9)2/h3-5H,13H2,1-2H3
InChIKeyCBLBRWWNWMHDMS-UHFFFAOYSA-N
XLogP3.30
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921576
2,6-difluoro-3-(4-methyl-1,3-oxazol-2-yl)aniline
CID 165455640
5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine
CID 104728890
2-(2-fluorophenyl)-4-methyl-1,3-oxazole
CID 146080980
2-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-1,3-oxazole;methane
CID 159445754
5-bromo-2-methyl-3-(5-propan-2-yl-1H-imidazol-2-yl)aniline
CID 107874077
5-bromo-3-(5-tert-butyl-1H-imidazol-2-yl)-2-methylaniline
CID 114011496
5-bromo-2-(2,4,5-trimethylfuran-3-yl)-1,3-benzoxazol-7-amine
CID 104728797
4-methyl-2-pyrimidin-2-yl-1,3-oxazole
CID 175957886
2-[2-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanamine
CID 115022622
5-(4-methyl-1,3-oxazol-2-yl)-1H-pyrrole-2-carboxylic acid
CID 137185406
4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117354707

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline?
The IUPAC name of 5-bromo-2-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline (CID 107874095) is 5-bromo-2-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline.
What is the SMILES notation for 5-bromo-2-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline?
The canonical SMILES for 5-bromo-2-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline is Cc1coc(-c2cc(Br)cc(N)c2C)n1.
What is the InChIKey of 5-bromo-2-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline?
The InChIKey is CBLBRWWNWMHDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-6-5-15-11(14-6)9-3-8(12)4-10(13)7(9)2/h3-5H,13H2,1-2H3.
What are the key properties of 5-bromo-2-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline?
5-bromo-2-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline has a molecular weight of 267.13 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 107874095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).