1-[5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine

C14H21N3O2 — CID 55124165

IUPAC1-[5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(CCc2ccco2)o1
InChIInChI=1S/C14H21N3O2/c1-3-9-15-12(4-2)14-17-16-13(19-14)8-7-11-6-5-10-18-11/h5-6,10,12,15H,3-4,7-9H2,1-2H3
InChIKeyGSEUMOUIDBODCD-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.90
Rot. Bonds8

About 1-[5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine

1-[5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 55124165) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID55124165
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(CCc2ccco2)o1
InChIInChI=1S/C14H21N3O2/c1-3-9-15-12(4-2)14-17-16-13(19-14)8-7-11-6-5-10-18-11/h5-6,10,12,15H,3-4,7-9H2,1-2H3
InChIKeyGSEUMOUIDBODCD-UHFFFAOYSA-N
XLogP2.90
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine
CID 65427378
N-propyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62859634
1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857634
1-[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857789
N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029341
1-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62859130
1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857114
3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 105184733
1-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62859470
1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine
CID 105170638
N-[2-(furan-2-yl)-1-pyridin-4-ylethyl]propan-1-amine
CID 83175594
1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857467

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (CID 55124165) is 1-[5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1nnc(CCc2ccco2)o1.
What is the InChIKey of 1-[5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is GSEUMOUIDBODCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-9-15-12(4-2)14-17-16-13(19-14)8-7-11-6-5-10-18-11/h5-6,10,12,15H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
1-[5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 263.34 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 55124165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).