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

C11H13BrN2OS — CID 107966719

IUPAC2-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1ncc(-c2csc(Br)c2)o1
InChIInChI=1S/C11H13BrN2OS/c1-2-13-4-3-11-14-6-9(15-11)8-5-10(12)16-7-8/h5-7,13H,2-4H2,1H3
InChIKeyIZYNQAWXWQSOAN-UHFFFAOYSA-N
MW301.21 g/mol
LogP3.32
Rot. Bonds5

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

2-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-ethylethanamine (PubChem CID 107966719) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is 2-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-ethylethanamine
PubChem CID107966719
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name2-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1ncc(-c2csc(Br)c2)o1
InChIInChI=1S/C11H13BrN2OS/c1-2-13-4-3-11-14-6-9(15-11)8-5-10(12)16-7-8/h5-7,13H,2-4H2,1H3
InChIKeyIZYNQAWXWQSOAN-UHFFFAOYSA-N
XLogP3.32
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 107966754
2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65182798
2-[5-(3-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 107994741
N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183399
2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183004
2-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 107994739
3-[5-(3-bromo-4-methylphenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 81488018
3-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 107941923
N-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183247
N-ethyl-2-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine
CID 65182954
2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182659
2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65182949

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The IUPAC name of 2-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-ethylethanamine (CID 107966719) is 2-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 2-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-ethylethanamine is CCNCCc1ncc(-c2csc(Br)c2)o1.
What is the InChIKey of 2-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The InChIKey is IZYNQAWXWQSOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c1-2-13-4-3-11-14-6-9(15-11)8-5-10(12)16-7-8/h5-7,13H,2-4H2,1H3.
What are the key properties of 2-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-ethylethanamine?
2-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-ethylethanamine has a molecular weight of 301.21 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 107966719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).