1-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine

C12H13BrN2O2 — CID 113296242

IUPAC1-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCOc1cc(Br)ccc1-c1cnc(C(C)N)o1
InChIInChI=1S/C12H13BrN2O2/c1-7(14)12-15-6-11(17-12)9-4-3-8(13)5-10(9)16-2/h3-7H,14H2,1-2H3
InChIKeyPMTSFULHEQXLSJ-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.13
Rot. Bonds3

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

1-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 113296242) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 1-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID113296242
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name1-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCOc1cc(Br)ccc1-c1cnc(C(C)N)o1
InChIInChI=1S/C12H13BrN2O2/c1-7(14)12-15-6-11(17-12)9-4-3-8(13)5-10(9)16-2/h3-7H,14H2,1-2H3
InChIKeyPMTSFULHEQXLSJ-UHFFFAOYSA-N
XLogP3.13
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179063
3-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 115370266
1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179061
N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 115370252
5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179983
1-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65181194
2-(4-bromo-2-methoxyphenyl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 115368709
1-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 115370032
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 107952706
5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179645
1-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65309801
3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 112742085

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine (CID 113296242) is 1-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine is COc1cc(Br)ccc1-c1cnc(C(C)N)o1.
What is the InChIKey of 1-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is PMTSFULHEQXLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-7(14)12-15-6-11(17-12)9-4-3-8(13)5-10(9)16-2/h3-7H,14H2,1-2H3.
What are the key properties of 1-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
1-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 297.15 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 113296242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).