3-ethyl-N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]hex-5-en-1-amine

C17H24N2O2S — CID 134232824

IUPAC3-ethyl-N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]hex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1cc(-c2sccc2OC)on1
InChIInChI=1S/C17H24N2O2S/c1-4-6-13(5-2)7-9-18-12-14-11-16(21-19-14)17-15(20-3)8-10-22-17/h4,8,10-11,13,18H,1,5-7,9,12H2,2-3H3
InChIKeyUMALYCIZDHEXFN-UHFFFAOYSA-N
MW320.46 g/mol
LogP4.49
Rot. Bonds10

About 3-ethyl-N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]hex-5-en-1-amine

3-ethyl-N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]hex-5-en-1-amine (PubChem CID 134232824) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 3-ethyl-N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]hex-5-en-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]hex-5-en-1-amine
PubChem CID134232824
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name3-ethyl-N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]hex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1cc(-c2sccc2OC)on1
InChIInChI=1S/C17H24N2O2S/c1-4-6-13(5-2)7-9-18-12-14-11-16(21-19-14)17-15(20-3)8-10-22-17/h4,8,10-11,13,18H,1,5-7,9,12H2,2-3H3
InChIKeyUMALYCIZDHEXFN-UHFFFAOYSA-N
XLogP4.49
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]hex-5-en-1-amine?
The IUPAC name of 3-ethyl-N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]hex-5-en-1-amine (CID 134232824) is 3-ethyl-N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]hex-5-en-1-amine.
What is the SMILES notation for 3-ethyl-N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]hex-5-en-1-amine?
The canonical SMILES for 3-ethyl-N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]hex-5-en-1-amine is C=CCC(CC)CCNCc1cc(-c2sccc2OC)on1.
What is the InChIKey of 3-ethyl-N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]hex-5-en-1-amine?
The InChIKey is UMALYCIZDHEXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-4-6-13(5-2)7-9-18-12-14-11-16(21-19-14)17-15(20-3)8-10-22-17/h4,8,10-11,13,18H,1,5-7,9,12H2,2-3H3.
What are the key properties of 3-ethyl-N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]hex-5-en-1-amine?
3-ethyl-N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]hex-5-en-1-amine has a molecular weight of 320.46 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]hex-5-en-1-amine is sourced from PubChem (CID 134232824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).