N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine

C15H14FN3OS — CID 106395642

IUPACN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESFc1ccc(CNCCc2ncon2)cc1-c1cccs1
InChIInChI=1S/C15H14FN3OS/c16-13-4-3-11(8-12(13)14-2-1-7-21-14)9-17-6-5-15-18-10-20-19-15/h1-4,7-8,10,17H,5-6,9H2
InChIKeyOQWALSQBYRFASY-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.27
Rot. Bonds6

About N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine

N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 106395642) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID106395642
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESFc1ccc(CNCCc2ncon2)cc1-c1cccs1
InChIInChI=1S/C15H14FN3OS/c16-13-4-3-11(8-12(13)14-2-1-7-21-14)9-17-6-5-15-18-10-20-19-15/h1-4,7-8,10,17H,5-6,9H2
InChIKeyOQWALSQBYRFASY-UHFFFAOYSA-N
XLogP3.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[3-fluoro-5-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 89095172
3-(2-Fluorophenyl)-N-[(thiophen-2-YL)methyl]-1,2,4-oxadiazol-5-amine
CID 46342070
3-(2-Fluorophenyl)-N-[2-(thiophen-3-YL)ethyl]-1,2,4-oxadiazol-5-amine
CID 46342097
3-[3-[4-Phenyl-5-(trifluoromethyl)thiophen-2-yl]-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 118576467
3-[3-fluoro-5-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 123999358
(3S)-3-[3-fluoro-5-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine
CID 126634083
(5S)-5-[3-fluoro-5-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 134480127
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
CID 55735551
1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 61104390
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103744524
1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392630
2-(1,2,4-oxadiazol-3-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 106395329

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (CID 106395642) is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is Fc1ccc(CNCCc2ncon2)cc1-c1cccs1.
What is the InChIKey of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is OQWALSQBYRFASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c16-13-4-3-11(8-12(13)14-2-1-7-21-14)9-17-6-5-15-18-10-20-19-15/h1-4,7-8,10,17H,5-6,9H2.
What are the key properties of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 303.36 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 106395642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).