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

C14H15N3O2 — CID 62138314

IUPACN-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(-c2cc3ccccc3o2)o1
InChIInChI=1S/C14H15N3O2/c1-9(2)15-8-13-16-17-14(19-13)12-7-10-5-3-4-6-11(10)18-12/h3-7,9,15H,8H2,1-2H3
InChIKeyVQEWMGYKYDJSIU-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.98
Rot. Bonds4

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

N-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 62138314) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID62138314
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(-c2cc3ccccc3o2)o1
InChIInChI=1S/C14H15N3O2/c1-9(2)15-8-13-16-17-14(19-13)12-7-10-5-3-4-6-11(10)18-12/h3-7,9,15H,8H2,1-2H3
InChIKeyVQEWMGYKYDJSIU-UHFFFAOYSA-N
XLogP2.98
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55039542
N-[[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62138872
N-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62136857
1-(azepan-1-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 75419217
N-[[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 63078756
N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62661463
N-[[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 79205528
N-[[5-(5-bromo-2-iodophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 114032235
N-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62278238
N-[[5-(3-propoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62919697
N-[[2-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65287939
N-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62138508

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 62138314) is N-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nnc(-c2cc3ccccc3o2)o1.
What is the InChIKey of N-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is VQEWMGYKYDJSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9(2)15-8-13-16-17-14(19-13)12-7-10-5-3-4-6-11(10)18-12/h3-7,9,15H,8H2,1-2H3.
What are the key properties of N-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
N-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 257.29 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62138314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).