N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine

C12H12BrClN2O — CID 65288466

IUPACN-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1coc(-c2cc(Br)ccc2Cl)n1
InChIInChI=1S/C12H12BrClN2O/c1-2-15-6-9-7-17-12(16-9)10-5-8(13)3-4-11(10)14/h3-5,7,15H,2,6H2,1H3
InChIKeyISNDPACYXPUUMQ-UHFFFAOYSA-N
MW315.60 g/mol
LogP3.87
Rot. Bonds4

About N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine

N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 65288466) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID65288466
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC NameN-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1coc(-c2cc(Br)ccc2Cl)n1
InChIInChI=1S/C12H12BrClN2O/c1-2-15-6-9-7-17-12(16-9)10-5-8(13)3-4-11(10)14/h3-5,7,15H,2,6H2,1H3
InChIKeyISNDPACYXPUUMQ-UHFFFAOYSA-N
XLogP3.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 81307525
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288314
N-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 81117236
N-[[2-(2,5-dibromothiophen-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 107966879
N-[[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65287897
N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288509
N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 114376121
[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 65289102
N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 114376117
2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole
CID 65311925
2-[5-(5-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 55043927
N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 81307526

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 65288466) is N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine is CCNCc1coc(-c2cc(Br)ccc2Cl)n1.
What is the InChIKey of N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is ISNDPACYXPUUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c1-2-15-6-9-7-17-12(16-9)10-5-8(13)3-4-11(10)14/h3-5,7,15H,2,6H2,1H3.
What are the key properties of N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 315.60 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65288466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).