N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine

C14H15N3O3 — CID 106396540

IUPACN-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCOc1cccc2cc(CNCCc3ncon3)oc12
InChIInChI=1S/C14H15N3O3/c1-18-12-4-2-3-10-7-11(20-14(10)12)8-15-6-5-13-16-9-19-17-13/h2-4,7,9,15H,5-6,8H2,1H3
InChIKeyWKMLPDMBMNZVBA-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.16
Rot. Bonds6

About N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine

N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 106396540) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID106396540
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCOc1cccc2cc(CNCCc3ncon3)oc12
InChIInChI=1S/C14H15N3O3/c1-18-12-4-2-3-10-7-11(20-14(10)12)8-15-6-5-13-16-9-19-17-13/h2-4,7,9,15H,5-6,8H2,1H3
InChIKeyWKMLPDMBMNZVBA-UHFFFAOYSA-N
XLogP2.16
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 55410255
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61211468
2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 64988267
N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide
CID 43771801
N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 70555736
2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 61169329
3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60925397
4-[(7-methoxy-1-benzofuran-2-yl)methylamino]butanoic acid
CID 60782962
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
N-[(2,4-dimethoxyphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396479
1-(7-methoxy-1-benzofuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305695

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (CID 106396540) is N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is COc1cccc2cc(CNCCc3ncon3)oc12.
What is the InChIKey of N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is WKMLPDMBMNZVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-18-12-4-2-3-10-7-11(20-14(10)12)8-15-6-5-13-16-9-19-17-13/h2-4,7,9,15H,5-6,8H2,1H3.
What are the key properties of N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 273.29 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 106396540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).