1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine

C13H14Br2N2O — CID 114375998

IUPAC1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ncc(-c2cc(Br)ccc2Br)o1
InChIInChI=1S/C13H14Br2N2O/c1-3-16-8(2)13-17-7-12(18-13)10-6-9(14)4-5-11(10)15/h4-8,16H,3H2,1-2H3
InChIKeyZJJQMQAQKMYUKZ-UHFFFAOYSA-N
MW374.08 g/mol
LogP4.54
Rot. Bonds4

About 1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine

1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine (PubChem CID 114375998) has the molecular formula C13H14Br2N2O and a molecular weight of 374.08 g/mol. Its IUPAC name is 1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
PubChem CID114375998
Molecular FormulaC13H14Br2N2O
Molecular Weight374.08 g/mol
Exact Mass371.95
IUPAC Name1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ncc(-c2cc(Br)ccc2Br)o1
InChIInChI=1S/C13H14Br2N2O/c1-3-16-8(2)13-17-7-12(18-13)10-6-9(14)4-5-11(10)15/h4-8,16H,3H2,1-2H3
InChIKeyZJJQMQAQKMYUKZ-UHFFFAOYSA-N
XLogP4.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine (CID 114375998) is 1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine is CCNC(C)c1ncc(-c2cc(Br)ccc2Br)o1.
What is the InChIKey of 1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The InChIKey is ZJJQMQAQKMYUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O/c1-3-16-8(2)13-17-7-12(18-13)10-6-9(14)4-5-11(10)15/h4-8,16H,3H2,1-2H3.
What are the key properties of 1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine has a molecular weight of 374.08 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 114375998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).