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

C16H17N3O2 — CID 61024158

IUPACN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine
SMILESc1ccc(Cc2noc(CNCCc3ccco3)n2)cc1
InChIInChI=1S/C16H17N3O2/c1-2-5-13(6-3-1)11-15-18-16(21-19-15)12-17-9-8-14-7-4-10-20-14/h1-7,10,17H,8-9,11-12H2
InChIKeyDRFHFXWBTRTZIP-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.59
Rot. Bonds7

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

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine (PubChem CID 61024158) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine
PubChem CID61024158
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine
SMILESc1ccc(Cc2noc(CNCCc3ccco3)n2)cc1
InChIInChI=1S/C16H17N3O2/c1-2-5-13(6-3-1)11-15-18-16(21-19-15)12-17-9-8-14-7-4-10-20-14/h1-7,10,17H,8-9,11-12H2
InChIKeyDRFHFXWBTRTZIP-UHFFFAOYSA-N
XLogP2.59
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
CID 43663035
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61039973
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104760594
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62977426
1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 62337738
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 106813128
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
CID 43663077
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152030
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115359974
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentan-3-amine
CID 103746603
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
CID 43663072
[3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115004199

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine?
The IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine (CID 61024158) is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine?
The canonical SMILES for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine is c1ccc(Cc2noc(CNCCc3ccco3)n2)cc1.
What is the InChIKey of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine?
The InChIKey is DRFHFXWBTRTZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-5-13(6-3-1)11-15-18-16(21-19-15)12-17-9-8-14-7-4-10-20-14/h1-7,10,17H,8-9,11-12H2.
What are the key properties of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine?
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine has a molecular weight of 283.33 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 61024158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).