3-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]hex-5-en-1-amine

C17H24N2OS — CID 134232736

IUPAC3-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]hex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1nc(-c2cccs2)oc1C
InChIInChI=1S/C17H24N2OS/c1-4-7-14(5-2)9-10-18-12-15-13(3)20-17(19-15)16-8-6-11-21-16/h4,6,8,11,14,18H,1,5,7,9-10,12H2,2-3H3
InChIKeyCIHFMOLELJREIJ-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.79
Rot. Bonds9

About 3-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]hex-5-en-1-amine

3-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]hex-5-en-1-amine (PubChem CID 134232736) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]hex-5-en-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]hex-5-en-1-amine
PubChem CID134232736
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name3-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]hex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1nc(-c2cccs2)oc1C
InChIInChI=1S/C17H24N2OS/c1-4-7-14(5-2)9-10-18-12-15-13(3)20-17(19-15)16-8-6-11-21-16/h4,6,8,11,14,18H,1,5,7,9-10,12H2,2-3H3
InChIKeyCIHFMOLELJREIJ-UHFFFAOYSA-N
XLogP4.79
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]hex-5-en-1-amine?
The IUPAC name of 3-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]hex-5-en-1-amine (CID 134232736) is 3-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]hex-5-en-1-amine.
What is the SMILES notation for 3-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]hex-5-en-1-amine?
The canonical SMILES for 3-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]hex-5-en-1-amine is C=CCC(CC)CCNCc1nc(-c2cccs2)oc1C.
What is the InChIKey of 3-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]hex-5-en-1-amine?
The InChIKey is CIHFMOLELJREIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-4-7-14(5-2)9-10-18-12-15-13(3)20-17(19-15)16-8-6-11-21-16/h4,6,8,11,14,18H,1,5,7,9-10,12H2,2-3H3.
What are the key properties of 3-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]hex-5-en-1-amine?
3-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]hex-5-en-1-amine has a molecular weight of 304.46 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]hex-5-en-1-amine is sourced from PubChem (CID 134232736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).