(E)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylprop-2-en-1-amine

C14H17N3O — CID 103647920

IUPAC(E)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylprop-2-en-1-amine
SMILESCc1noc(CCNC/C=C/c2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-12-16-14(18-17-12)9-11-15-10-5-8-13-6-3-2-4-7-13/h2-8,15H,9-11H2,1H3/b8-5+
InChIKeyJEKBLHQGROKBNN-VMPITWQZSA-N
MW243.31 g/mol
LogP2.22
Rot. Bonds6

About (E)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylprop-2-en-1-amine

(E)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylprop-2-en-1-amine (PubChem CID 103647920) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (E)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylprop-2-en-1-amine
PubChem CID103647920
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(E)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylprop-2-en-1-amine
SMILESCc1noc(CCNC/C=C/c2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-12-16-14(18-17-12)9-11-15-10-5-8-13-6-3-2-4-7-13/h2-8,15H,9-11H2,1H3/b8-5+
InChIKeyJEKBLHQGROKBNN-VMPITWQZSA-N
XLogP2.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-phenyl-N-(2-phenylethyl)prop-2-en-1-amine
CID 93072278
N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboximidamide
CID 111218597
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine
CID 103901524
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-phenylpropanoic acid
CID 106416924
2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzoic acid
CID 106419648
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
CID 119123049
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol
CID 106416605
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3-phenylpropanenitrile
CID 106417143
(2R,3S)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylbutan-2-amine
CID 97065414
(E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-1-amine
CID 113434551
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109415045

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylprop-2-en-1-amine (CID 103647920) is (E)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylprop-2-en-1-amine is Cc1noc(CCNC/C=C/c2ccccc2)n1.
What is the InChIKey of (E)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylprop-2-en-1-amine?
The InChIKey is JEKBLHQGROKBNN-VMPITWQZSA-N. The full InChI is InChI=1S/C14H17N3O/c1-12-16-14(18-17-12)9-11-15-10-5-8-13-6-3-2-4-7-13/h2-8,15H,9-11H2,1H3/b8-5+.
What are the key properties of (E)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylprop-2-en-1-amine?
(E)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylprop-2-en-1-amine has a molecular weight of 243.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 103647920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).