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

C13H10FN3OS — CID 46342070

IUPAC3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
SMILESFc1ccccc1-c1noc(NCc2cccs2)n1
InChIInChI=1S/C13H10FN3OS/c14-11-6-2-1-5-10(11)12-16-13(18-17-12)15-8-9-4-3-7-19-9/h1-7H,8H2,(H,15,16,17)
InChIKeyVGLPLJGKXFOJRF-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.55
Rot. Bonds4

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

3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 46342070) has the molecular formula C13H10FN3OS and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
PubChem CID46342070
Molecular FormulaC13H10FN3OS
Molecular Weight275.31 g/mol
Exact Mass275.05
IUPAC Name3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
SMILESFc1ccccc1-c1noc(NCc2cccs2)n1
InChIInChI=1S/C13H10FN3OS/c14-11-6-2-1-5-10(11)12-16-13(18-17-12)15-8-9-4-3-7-19-9/h1-7H,8H2,(H,15,16,17)
InChIKeyVGLPLJGKXFOJRF-UHFFFAOYSA-N
XLogP3.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.55
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-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine (CID 46342070) is 3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine is Fc1ccccc1-c1noc(NCc2cccs2)n1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is VGLPLJGKXFOJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS/c14-11-6-2-1-5-10(11)12-16-13(18-17-12)15-8-9-4-3-7-19-9/h1-7H,8H2,(H,15,16,17).
What are the key properties of 3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 275.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 46342070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).