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

C11H11BrN2O2 — CID 141045942

IUPAC4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]aniline
SMILESCc1cc(COc2cc(Br)ccc2N)no1
InChIInChI=1S/C11H11BrN2O2/c1-7-4-9(14-16-7)6-15-11-5-8(12)2-3-10(11)13/h2-5H,6,13H2,1H3
InChIKeyMEBCYBCPUBSEHW-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.91
Rot. Bonds3

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

4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]aniline (PubChem CID 141045942) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]aniline.

Molecular Properties

Compound Name4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]aniline
PubChem CID141045942
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]aniline
SMILESCc1cc(COc2cc(Br)ccc2N)no1
InChIInChI=1S/C11H11BrN2O2/c1-7-4-9(14-16-7)6-15-11-5-8(12)2-3-10(11)13/h2-5H,6,13H2,1H3
InChIKeyMEBCYBCPUBSEHW-UHFFFAOYSA-N
XLogP2.91
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 102948726
1-[4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-N-methylethanamine
CID 102947315
3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 28782461
5-methyl-3-[(2,4,6-tribromophenoxy)methyl]-1,2-oxazole
CID 112797269
3-[(6-bromo-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole
CID 103816173
3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 114672579
[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
CID 66157009
3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole
CID 60673786
3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 78807744
2-ethoxy-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine
CID 63670329
4-bromo-2-(methoxymethoxy)aniline
CID 167459517
1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 66157614

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]aniline?
The IUPAC name of 4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]aniline (CID 141045942) is 4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]aniline.
What is the SMILES notation for 4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]aniline?
The canonical SMILES for 4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]aniline is Cc1cc(COc2cc(Br)ccc2N)no1.
What is the InChIKey of 4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]aniline?
The InChIKey is MEBCYBCPUBSEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-7-4-9(14-16-7)6-15-11-5-8(12)2-3-10(11)13/h2-5H,6,13H2,1H3.
What are the key properties of 4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]aniline?
4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]aniline has a molecular weight of 283.12 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]aniline is sourced from PubChem (CID 141045942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).