1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine

C14H18FN3O2 — CID 107700994

IUPAC1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine
SMILESCCc1nc(COc2ccc(F)cc2CC(C)N)no1
InChIInChI=1S/C14H18FN3O2/c1-3-14-17-13(18-20-14)8-19-12-5-4-11(15)7-10(12)6-9(2)16/h4-5,7,9H,3,6,8,16H2,1-2H3
InChIKeyKWBJTQMAACUFOB-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.24
Rot. Bonds6

About 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine

1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine (PubChem CID 107700994) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine
PubChem CID107700994
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine
SMILESCCc1nc(COc2ccc(F)cc2CC(C)N)no1
InChIInChI=1S/C14H18FN3O2/c1-3-14-17-13(18-20-14)8-19-12-5-4-11(15)7-10(12)6-9(2)16/h4-5,7,9H,3,6,8,16H2,1-2H3
InChIKeyKWBJTQMAACUFOB-UHFFFAOYSA-N
XLogP2.24
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine 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-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine (CID 107700994) is 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine is CCc1nc(COc2ccc(F)cc2CC(C)N)no1.
What is the InChIKey of 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine?
The InChIKey is KWBJTQMAACUFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-3-14-17-13(18-20-14)8-19-12-5-4-11(15)7-10(12)6-9(2)16/h4-5,7,9H,3,6,8,16H2,1-2H3.
What are the key properties of 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine?
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine has a molecular weight of 279.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine is sourced from PubChem (CID 107700994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).