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

C15H20FN3O2 — CID 107695794

IUPACN-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)ccc1OCc1nnc(CC)o1
InChIInChI=1S/C15H20FN3O2/c1-3-7-17-9-11-8-12(16)5-6-13(11)20-10-15-19-18-14(4-2)21-15/h5-6,8,17H,3-4,7,9-10H2,1-2H3
InChIKeyIFKNMWAHWKPSKU-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.85
Rot. Bonds8

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

N-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine (PubChem CID 107695794) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
PubChem CID107695794
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)ccc1OCc1nnc(CC)o1
InChIInChI=1S/C15H20FN3O2/c1-3-7-17-9-11-8-12(16)5-6-13(11)20-10-15-19-18-14(4-2)21-15/h5-6,8,17H,3-4,7,9-10H2,1-2H3
InChIKeyIFKNMWAHWKPSKU-UHFFFAOYSA-N
XLogP2.85
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

N-[[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60881052
N-[[2-[(5-ethylthiophen-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695898
N-[[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107695868
N-[[5-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 107695847
N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 107695941
N-[[5-fluoro-2-(3-fluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695992
2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole
CID 91652636
3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol
CID 107695916
3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide
CID 107695803
N-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695985
N-[[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695788
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 43314361

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine (CID 107695794) is N-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine is CCCNCc1cc(F)ccc1OCc1nnc(CC)o1.
What is the InChIKey of N-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine?
The InChIKey is IFKNMWAHWKPSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-3-7-17-9-11-8-12(16)5-6-13(11)20-10-15-19-18-14(4-2)21-15/h5-6,8,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine?
N-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine has a molecular weight of 293.34 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine is sourced from PubChem (CID 107695794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).