1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)ethanamine

C15H14FN3O2 — CID 18775027

IUPAC1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)ethanamine
SMILESCC(NCc1ccco1)c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H14FN3O2/c1-10(17-9-13-3-2-8-20-13)14-18-19-15(21-14)11-4-6-12(16)7-5-11/h2-8,10,17H,9H2,1H3
InChIKeyRZMKJHNYEGKOKP-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.32
Rot. Bonds5

About 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)ethanamine

1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)ethanamine (PubChem CID 18775027) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)ethanamine
PubChem CID18775027
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)ethanamine
SMILESCC(NCc1ccco1)c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H14FN3O2/c1-10(17-9-13-3-2-8-20-13)14-18-19-15(21-14)11-4-6-12(16)7-5-11/h2-8,10,17H,9H2,1H3
InChIKeyRZMKJHNYEGKOKP-UHFFFAOYSA-N
XLogP3.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)ethanamine (CID 18775027) is 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)ethanamine is CC(NCc1ccco1)c1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is RZMKJHNYEGKOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-10(17-9-13-3-2-8-20-13)14-18-19-15(21-14)11-4-6-12(16)7-5-11/h2-8,10,17H,9H2,1H3.
What are the key properties of 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)ethanamine?
1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 287.29 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 18775027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).