2-(cyclohexen-1-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine

C16H20N2OS — CID 56673251

IUPAC2-(cyclohexen-1-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESC1=C(CCNCc2coc(-c3cccs3)n2)CCCC1
InChIInChI=1S/C16H20N2OS/c1-2-5-13(6-3-1)8-9-17-11-14-12-19-16(18-14)15-7-4-10-20-15/h4-5,7,10,12,17H,1-3,6,8-9,11H2
InChIKeyKDEGIOQDEJIVNE-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.38
Rot. Bonds6

About 2-(cyclohexen-1-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine

2-(cyclohexen-1-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine (PubChem CID 56673251) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
PubChem CID56673251
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-(cyclohexen-1-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESC1=C(CCNCc2coc(-c3cccs3)n2)CCCC1
InChIInChI=1S/C16H20N2OS/c1-2-5-13(6-3-1)8-9-17-11-14-12-19-16(18-14)15-7-4-10-20-15/h4-5,7,10,12,17H,1-3,6,8-9,11H2
InChIKeyKDEGIOQDEJIVNE-UHFFFAOYSA-N
XLogP4.38
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.38
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 2-(cyclohexen-1-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine (CID 56673251) is 2-(cyclohexen-1-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine is C1=C(CCNCc2coc(-c3cccs3)n2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The InChIKey is KDEGIOQDEJIVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-2-5-13(6-3-1)8-9-17-11-14-12-19-16(18-14)15-7-4-10-20-15/h4-5,7,10,12,17H,1-3,6,8-9,11H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine has a molecular weight of 288.42 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 56673251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).