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

C18H26N2O — CID 134232623

IUPAC3-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine
SMILESC=CCC(CC)CCNCC1CC(c2ccccc2)=NO1
InChIInChI=1S/C18H26N2O/c1-3-8-15(4-2)11-12-19-14-17-13-18(20-21-17)16-9-6-5-7-10-16/h3,5-7,9-10,15,17,19H,1,4,8,11-14H2,2H3
InChIKeyOYEYCJVYDRBQAG-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.76
Rot. Bonds9

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

3-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine (PubChem CID 134232623) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine
PubChem CID134232623
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine
SMILESC=CCC(CC)CCNCC1CC(c2ccccc2)=NO1
InChIInChI=1S/C18H26N2O/c1-3-8-15(4-2)11-12-19-14-17-13-18(20-21-17)16-9-6-5-7-10-16/h3,5-7,9-10,15,17,19H,1,4,8,11-14H2,2H3
InChIKeyOYEYCJVYDRBQAG-UHFFFAOYSA-N
XLogP3.76
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine?
The IUPAC name of 3-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine (CID 134232623) is 3-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine.
What is the SMILES notation for 3-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine?
The canonical SMILES for 3-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine is C=CCC(CC)CCNCC1CC(c2ccccc2)=NO1.
What is the InChIKey of 3-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine?
The InChIKey is OYEYCJVYDRBQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-8-15(4-2)11-12-19-14-17-13-18(20-21-17)16-9-6-5-7-10-16/h3,5-7,9-10,15,17,19H,1,4,8,11-14H2,2H3.
What are the key properties of 3-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine?
3-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine is sourced from PubChem (CID 134232623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).