3-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine

C14H21N3O2 — CID 79084387

IUPAC3-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCCc1ccc(-c2nnc(CCCNC(C)C)o2)o1
InChIInChI=1S/C14H21N3O2/c1-4-11-7-8-12(18-11)14-17-16-13(19-14)6-5-9-15-10(2)3/h7-8,10,15H,4-6,9H2,1-3H3
InChIKeyPKINYJGOYNYNRY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.82
Rot. Bonds7

About 3-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine

3-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 79084387) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
PubChem CID79084387
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCCc1ccc(-c2nnc(CCCNC(C)C)o2)o1
InChIInChI=1S/C14H21N3O2/c1-4-11-7-8-12(18-11)14-17-16-13(19-14)6-5-9-15-10(2)3/h7-8,10,15H,4-6,9H2,1-3H3
InChIKeyPKINYJGOYNYNRY-UHFFFAOYSA-N
XLogP2.82
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine with MolForge

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Related Compounds

2-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 79083781
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138740
4-[5-[3-(propan-2-ylamino)propyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 62136931
N-[[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 79084042
3-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 79206312
6-[5-[3-(propan-2-ylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile
CID 63748672
3-(5-pentyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138927
3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62278623
N-propan-2-yl-3-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 114031386
3-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62138908
3-[5-(2-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 81477223
N-[2-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164161

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine (CID 79084387) is 3-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine is CCc1ccc(-c2nnc(CCCNC(C)C)o2)o1.
What is the InChIKey of 3-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is PKINYJGOYNYNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-11-7-8-12(18-11)14-17-16-13(19-14)6-5-9-15-10(2)3/h7-8,10,15H,4-6,9H2,1-3H3.
What are the key properties of 3-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
3-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 263.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79084387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).