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

C10H7N3O2S — CID 62716632

IUPAC3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESNc1sccc1-c1nc(-c2ccco2)no1
InChIInChI=1S/C10H7N3O2S/c11-8-6(3-5-16-8)10-12-9(13-15-10)7-2-1-4-14-7/h1-5H,11H2
InChIKeyNXQYUFNEGYYVEG-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.64
Rot. Bonds2

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

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 62716632) has the molecular formula C10H7N3O2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID62716632
Molecular FormulaC10H7N3O2S
Molecular Weight233.25 g/mol
Exact Mass233.03
IUPAC Name3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESNc1sccc1-c1nc(-c2ccco2)no1
InChIInChI=1S/C10H7N3O2S/c11-8-6(3-5-16-8)10-12-9(13-15-10)7-2-1-4-14-7/h1-5H,11H2
InChIKeyNXQYUFNEGYYVEG-UHFFFAOYSA-N
XLogP2.64
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 62716632) is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Nc1sccc1-c1nc(-c2ccco2)no1.
What is the InChIKey of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is NXQYUFNEGYYVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2S/c11-8-6(3-5-16-8)10-12-9(13-15-10)7-2-1-4-14-7/h1-5H,11H2.
What are the key properties of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 233.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 62716632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).