N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine

C11H13BrN2O2S — CID 65288355

IUPACN-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1coc(-c2sccc2Br)n1
InChIInChI=1S/C11H13BrN2O2S/c1-15-4-3-13-6-8-7-16-11(14-8)10-9(12)2-5-17-10/h2,5,7,13H,3-4,6H2,1H3
InChIKeyPNOWTYHRBNBIKM-UHFFFAOYSA-N
MW317.21 g/mol
LogP2.90
Rot. Bonds6

About N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine

N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 65288355) has the molecular formula C11H13BrN2O2S and a molecular weight of 317.21 g/mol. Its IUPAC name is N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID65288355
Molecular FormulaC11H13BrN2O2S
Molecular Weight317.21 g/mol
Exact Mass315.99
IUPAC NameN-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1coc(-c2sccc2Br)n1
InChIInChI=1S/C11H13BrN2O2S/c1-15-4-3-13-6-8-7-16-11(14-8)10-9(12)2-5-17-10/h2,5,7,13H,3-4,6H2,1H3
InChIKeyPNOWTYHRBNBIKM-UHFFFAOYSA-N
XLogP2.90
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 60671128
N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65287912
N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 114376121
N-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 81487721
2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 80740331
N-[[2-(4-bromo-3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65293278
N-[[2-(3-bromo-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65287971
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 60727772
2-methoxy-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 65288455
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65288161
N-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65287872
2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 119698131

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine (CID 65288355) is N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1coc(-c2sccc2Br)n1.
What is the InChIKey of N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is PNOWTYHRBNBIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S/c1-15-4-3-13-6-8-7-16-11(14-8)10-9(12)2-5-17-10/h2,5,7,13H,3-4,6H2,1H3.
What are the key properties of N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 317.21 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65288355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).