5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C12H8FN3OS — CID 43514715

IUPAC5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESNc1ccc(-c2nc(-c3ccc(F)cc3)no2)s1
InChIInChI=1S/C12H8FN3OS/c13-8-3-1-7(2-4-8)11-15-12(17-16-11)9-5-6-10(14)18-9/h1-6H,14H2
InChIKeyBKJOJSOOGUTVAR-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.19
Rot. Bonds2

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

5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 43514715) has the molecular formula C12H8FN3OS and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID43514715
Molecular FormulaC12H8FN3OS
Molecular Weight261.28 g/mol
Exact Mass261.04
IUPAC Name5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESNc1ccc(-c2nc(-c3ccc(F)cc3)no2)s1
InChIInChI=1S/C12H8FN3OS/c13-8-3-1-7(2-4-8)11-15-12(17-16-11)9-5-6-10(14)18-9/h1-6H,14H2
InChIKeyBKJOJSOOGUTVAR-UHFFFAOYSA-N
XLogP3.19
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 114329273
4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43514752
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 64528095
5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 113454313
5-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 62717589
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 43475152
3-[4-(4-fluorophenoxy)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53103359
5-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 103372756
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97058185
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61267112
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721
5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 6458361

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 43514715) is 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)s1.
What is the InChIKey of 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is BKJOJSOOGUTVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3OS/c13-8-3-1-7(2-4-8)11-15-12(17-16-11)9-5-6-10(14)18-9/h1-6H,14H2.
What are the key properties of 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 261.28 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 43514715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).