2-(2-bromophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine

C11H11BrN2OS — CID 106921767

IUPAC2-(2-bromophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESNCC(Sc1ncco1)c1ccccc1Br
InChIInChI=1S/C11H11BrN2OS/c12-9-4-2-1-3-8(9)10(7-13)16-11-14-5-6-15-11/h1-6,10H,7,13H2
InChIKeyULDBYTZFIZWLEH-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.23
Rot. Bonds4

About 2-(2-bromophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine

2-(2-bromophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (PubChem CID 106921767) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
PubChem CID106921767
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name2-(2-bromophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESNCC(Sc1ncco1)c1ccccc1Br
InChIInChI=1S/C11H11BrN2OS/c12-9-4-2-1-3-8(9)10(7-13)16-11-14-5-6-15-11/h1-6,10H,7,13H2
InChIKeyULDBYTZFIZWLEH-UHFFFAOYSA-N
XLogP3.23
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (CID 106921767) is 2-(2-bromophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is NCC(Sc1ncco1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The InChIKey is ULDBYTZFIZWLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c12-9-4-2-1-3-8(9)10(7-13)16-11-14-5-6-15-11/h1-6,10H,7,13H2.
What are the key properties of 2-(2-bromophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
2-(2-bromophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine has a molecular weight of 299.19 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 106921767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).