3-(2-fluorophenyl)-N-(2-thiophen-3-ylethyl)-1,2,4-oxadiazol-5-amine

C14H12FN3OS — CID 46342097

IUPAC3-(2-fluorophenyl)-N-(2-thiophen-3-ylethyl)-1,2,4-oxadiazol-5-amine
SMILESFc1ccccc1-c1noc(NCCc2ccsc2)n1
InChIInChI=1S/C14H12FN3OS/c15-12-4-2-1-3-11(12)13-17-14(19-18-13)16-7-5-10-6-8-20-9-10/h1-4,6,8-9H,5,7H2,(H,16,17,18)
InChIKeyJAQNVWDHMBHWJZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.59
Rot. Bonds5

About 3-(2-fluorophenyl)-N-(2-thiophen-3-ylethyl)-1,2,4-oxadiazol-5-amine

3-(2-fluorophenyl)-N-(2-thiophen-3-ylethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 46342097) has the molecular formula C14H12FN3OS and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(2-thiophen-3-ylethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(2-thiophen-3-ylethyl)-1,2,4-oxadiazol-5-amine
PubChem CID46342097
Molecular FormulaC14H12FN3OS
Molecular Weight289.33 g/mol
Exact Mass289.07
IUPAC Name3-(2-fluorophenyl)-N-(2-thiophen-3-ylethyl)-1,2,4-oxadiazol-5-amine
SMILESFc1ccccc1-c1noc(NCCc2ccsc2)n1
InChIInChI=1S/C14H12FN3OS/c15-12-4-2-1-3-11(12)13-17-14(19-18-13)16-7-5-10-6-8-20-9-10/h1-4,6,8-9H,5,7H2,(H,16,17,18)
InChIKeyJAQNVWDHMBHWJZ-UHFFFAOYSA-N
XLogP3.59
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(2-thiophen-3-ylethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-(2-thiophen-3-ylethyl)-1,2,4-oxadiazol-5-amine (CID 46342097) is 3-(2-fluorophenyl)-N-(2-thiophen-3-ylethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(2-thiophen-3-ylethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-(2-thiophen-3-ylethyl)-1,2,4-oxadiazol-5-amine is Fc1ccccc1-c1noc(NCCc2ccsc2)n1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(2-thiophen-3-ylethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is JAQNVWDHMBHWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c15-12-4-2-1-3-11(12)13-17-14(19-18-13)16-7-5-10-6-8-20-9-10/h1-4,6,8-9H,5,7H2,(H,16,17,18).
What are the key properties of 3-(2-fluorophenyl)-N-(2-thiophen-3-ylethyl)-1,2,4-oxadiazol-5-amine?
3-(2-fluorophenyl)-N-(2-thiophen-3-ylethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 289.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(2-thiophen-3-ylethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 46342097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).