N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

C16H19N3O2 — CID 62163596

IUPACN-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(-c2cc3cc(C)ccc3o2)o1
InChIInChI=1S/C16H19N3O2/c1-4-7-17-11(3)15-18-19-16(21-15)14-9-12-8-10(2)5-6-13(12)20-14/h5-6,8-9,11,17H,4,7H2,1-3H3
InChIKeyPLWJVVIJNFORTL-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.85
Rot. Bonds5

About N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 62163596) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID62163596
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(-c2cc3cc(C)ccc3o2)o1
InChIInChI=1S/C16H19N3O2/c1-4-7-17-11(3)15-18-19-16(21-15)14-9-12-8-10(2)5-6-13(12)20-14/h5-6,8-9,11,17H,4,7H2,1-3H3
InChIKeyPLWJVVIJNFORTL-UHFFFAOYSA-N
XLogP3.85
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine with MolForge

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Related Compounds

N-ethyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181548
2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 114770729
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55039542
N-[1-[5-(3-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62164794
2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 105045138
N-(2-bromo-5-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106963884
N-[1-[5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62504986
N-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732235
N-[1-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62162718
3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 55039801
1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62163232
2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol
CID 82830527

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 62163596) is N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1nnc(-c2cc3cc(C)ccc3o2)o1.
What is the InChIKey of N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is PLWJVVIJNFORTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-7-17-11(3)15-18-19-16(21-15)14-9-12-8-10(2)5-6-13(12)20-14/h5-6,8-9,11,17H,4,7H2,1-3H3.
What are the key properties of N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62163596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).