2-[5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine

C8H8FN3OS — CID 130594373

IUPAC2-[5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(-c2sccc2F)n1
InChIInChI=1S/C8H8FN3OS/c9-5-2-4-14-7(5)8-11-6(1-3-10)12-13-8/h2,4H,1,3,10H2
InChIKeyYNXUXZBISZSCNT-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.44
Rot. Bonds3

About 2-[5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine

2-[5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 130594373) has the molecular formula C8H8FN3OS and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID130594373
Molecular FormulaC8H8FN3OS
Molecular Weight213.24 g/mol
Exact Mass213.04
IUPAC Name2-[5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(-c2sccc2F)n1
InChIInChI=1S/C8H8FN3OS/c9-5-2-4-14-7(5)8-11-6(1-3-10)12-13-8/h2,4H,1,3,10H2
InChIKeyYNXUXZBISZSCNT-UHFFFAOYSA-N
XLogP1.44
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 164654503
2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334499
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336064
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61334504
2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 66051285
2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79084815
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 65130994
2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104786429
2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 62329730
1-[5-(3-iodothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 130575910
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334113
2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334501

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 130594373) is 2-[5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine is NCCc1noc(-c2sccc2F)n1.
What is the InChIKey of 2-[5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is YNXUXZBISZSCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3OS/c9-5-2-4-14-7(5)8-11-6(1-3-10)12-13-8/h2,4H,1,3,10H2.
What are the key properties of 2-[5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 213.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 130594373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).