N-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine

C17H17N3O2 — CID 134043607

IUPACN-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
SMILESC=CCN(Cc1ccccc1)Cc1nc(-c2ccco2)no1
InChIInChI=1S/C17H17N3O2/c1-2-10-20(12-14-7-4-3-5-8-14)13-16-18-17(19-22-16)15-9-6-11-21-15/h2-9,11H,1,10,12-13H2
InChIKeyNGVDKVPUAFOUKR-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.52
Rot. Bonds7

About N-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine

N-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine (PubChem CID 134043607) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
PubChem CID134043607
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
SMILESC=CCN(Cc1ccccc1)Cc1nc(-c2ccco2)no1
InChIInChI=1S/C17H17N3O2/c1-2-10-20(12-14-7-4-3-5-8-14)13-16-18-17(19-22-16)15-9-6-11-21-15/h2-9,11H,1,10,12-13H2
InChIKeyNGVDKVPUAFOUKR-UHFFFAOYSA-N
XLogP3.52
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine with MolForge

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Related Compounds

2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol
CID 111462171
N-(1,3-benzodioxol-4-ylmethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine
CID 47000014
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112532
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzylprop-2-en-1-amine;hydrochloride
CID 120751127
2-[2,2-difluoroethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 107485412
1-[N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]propan-2-ol
CID 51106357
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 134019576
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine
CID 55571234
2-[[benzyl(prop-2-enyl)amino]methyl]phenol
CID 11391135
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
N-[(2-fluorophenyl)methyl]-N-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 55921913
2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol
CID 115631725

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine (CID 134043607) is N-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine is C=CCN(Cc1ccccc1)Cc1nc(-c2ccco2)no1.
What is the InChIKey of N-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine?
The InChIKey is NGVDKVPUAFOUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-10-20(12-14-7-4-3-5-8-14)13-16-18-17(19-22-16)15-9-6-11-21-15/h2-9,11H,1,10,12-13H2.
What are the key properties of N-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine?
N-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine has a molecular weight of 295.34 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 134043607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).