[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine

C10H8BrClN2O — CID 65289102

IUPAC[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1coc(-c2ccc(Br)cc2Cl)n1
InChIInChI=1S/C10H8BrClN2O/c11-6-1-2-8(9(12)3-6)10-14-7(4-13)5-15-10/h1-3,5H,4,13H2
InChIKeyYDPGXHLGARGZNP-UHFFFAOYSA-N
MW287.54 g/mol
LogP3.22
Rot. Bonds2

About [2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine

[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 65289102) has the molecular formula C10H8BrClN2O and a molecular weight of 287.54 g/mol. Its IUPAC name is [2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine
PubChem CID65289102
Molecular FormulaC10H8BrClN2O
Molecular Weight287.54 g/mol
Exact Mass285.95
IUPAC Name[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1coc(-c2ccc(Br)cc2Cl)n1
InChIInChI=1S/C10H8BrClN2O/c11-6-1-2-8(9(12)3-6)10-14-7(4-13)5-15-10/h1-3,5H,4,13H2
InChIKeyYDPGXHLGARGZNP-UHFFFAOYSA-N
XLogP3.22
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65287897
[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070230
4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole
CID 106862629
N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288466
2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole
CID 65311925
2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole
CID 107991092
2-bromo-5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole
CID 114771099
[5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine
CID 43347493
[2-(3-chlorothiophen-2-yl)-1,3-oxazol-4-yl]methanamine
CID 80641432
2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 43805456
[2-[4-(aminomethyl)-1,3-oxazol-2-yl]phenyl]methanamine;[2-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]methanamine
CID 174901363
2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 82477362

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine (CID 65289102) is [2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine is NCc1coc(-c2ccc(Br)cc2Cl)n1.
What is the InChIKey of [2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is YDPGXHLGARGZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O/c11-6-1-2-8(9(12)3-6)10-14-7(4-13)5-15-10/h1-3,5H,4,13H2.
What are the key properties of [2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine?
[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 287.54 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 65289102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).