3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine

C13H17BrN2O2S — CID 65184545

IUPAC3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1ncc(-c2sccc2Br)o1
InChIInChI=1S/C13H17BrN2O2S/c1-17-7-6-15-5-2-3-12-16-9-11(18-12)13-10(14)4-8-19-13/h4,8-9,15H,2-3,5-7H2,1H3
InChIKeyFJYDWXFHJZDOTO-UHFFFAOYSA-N
MW345.26 g/mol
LogP3.33
Rot. Bonds8

About 3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine

3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine (PubChem CID 65184545) has the molecular formula C13H17BrN2O2S and a molecular weight of 345.26 g/mol. Its IUPAC name is 3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
PubChem CID65184545
Molecular FormulaC13H17BrN2O2S
Molecular Weight345.26 g/mol
Exact Mass344.02
IUPAC Name3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1ncc(-c2sccc2Br)o1
InChIInChI=1S/C13H17BrN2O2S/c1-17-7-6-15-5-2-3-12-16-9-11(18-12)13-10(14)4-8-19-13/h4,8-9,15H,2-3,5-7H2,1H3
InChIKeyFJYDWXFHJZDOTO-UHFFFAOYSA-N
XLogP3.33
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 53.33
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

N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184894
3-[5-(3-bromo-4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 81475753
3-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 107966754
N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65186997
3-[5-(furan-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184897
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184898
3-[5-(5-iodothiophen-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 79691218
3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65185146
N-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186772
N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65184219
N-[2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 81128595
3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184796

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine (CID 65184545) is 3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine is COCCNCCCc1ncc(-c2sccc2Br)o1.
What is the InChIKey of 3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is FJYDWXFHJZDOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2S/c1-17-7-6-15-5-2-3-12-16-9-11(18-12)13-10(14)4-8-19-13/h4,8-9,15H,2-3,5-7H2,1H3.
What are the key properties of 3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine?
3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 345.26 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 65184545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).