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

C17H23N3O — CID 134232737

IUPAC3-ethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1cc(-c2cccnc2)no1
InChIInChI=1S/C17H23N3O/c1-3-6-14(4-2)8-10-19-13-16-11-17(20-21-16)15-7-5-9-18-12-15/h3,5,7,9,11-12,14,19H,1,4,6,8,10,13H2,2H3
InChIKeyIUBAEVMNDRREBM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.82
Rot. Bonds9

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

3-ethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine (PubChem CID 134232737) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-ethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine
PubChem CID134232737
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-ethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1cc(-c2cccnc2)no1
InChIInChI=1S/C17H23N3O/c1-3-6-14(4-2)8-10-19-13-16-11-17(20-21-16)15-7-5-9-18-12-15/h3,5,7,9,11-12,14,19H,1,4,6,8,10,13H2,2H3
InChIKeyIUBAEVMNDRREBM-UHFFFAOYSA-N
XLogP3.82
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.82
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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Related Compounds

ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole
CID 143675921
5-hexyl-3-pyridin-3-yl-1,2-oxazole
CID 134695050
5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride
CID 53398877
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
4-[(3-ethylhex-5-enylamino)methyl]benzene-1,2-diol
CID 134232488
3-ethyl-N-[(5-imidazol-1-ylthiophen-2-yl)methyl]hex-5-en-1-amine
CID 134232707
2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide
CID 46987595
1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanol
CID 44605540
3,5-dipyridin-3-yl-1,2-oxazole
CID 14593332
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 91776197
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 91777300
N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-1-pyridin-3-ylmethanamine
CID 5306415

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine?
The IUPAC name of 3-ethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine (CID 134232737) is 3-ethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine.
What is the SMILES notation for 3-ethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine?
The canonical SMILES for 3-ethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine is C=CCC(CC)CCNCc1cc(-c2cccnc2)no1.
What is the InChIKey of 3-ethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine?
The InChIKey is IUBAEVMNDRREBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-6-14(4-2)8-10-19-13-16-11-17(20-21-16)15-7-5-9-18-12-15/h3,5,7,9,11-12,14,19H,1,4,6,8,10,13H2,2H3.
What are the key properties of 3-ethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine?
3-ethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine is sourced from PubChem (CID 134232737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).