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

C11H9N3O2S — CID 55248190

IUPAC3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
SMILESCc1cc(-c2nc(-c3ccco3)no2)c(N)s1
InChIInChI=1S/C11H9N3O2S/c1-6-5-7(9(12)17-6)11-13-10(14-16-11)8-3-2-4-15-8/h2-5H,12H2,1H3
InChIKeyXHWNNRNVVOSEQB-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.95
Rot. Bonds2

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

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine (PubChem CID 55248190) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine.

Molecular Properties

Compound Name3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
PubChem CID55248190
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
SMILESCc1cc(-c2nc(-c3ccco3)no2)c(N)s1
InChIInChI=1S/C11H9N3O2S/c1-6-5-7(9(12)17-6)11-13-10(14-16-11)8-3-2-4-15-8/h2-5H,12H2,1H3
InChIKeyXHWNNRNVVOSEQB-UHFFFAOYSA-N
XLogP2.95
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.95
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]-5-methylthiophen-2-amine?
The IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine (CID 55248190) is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine.
What is the SMILES notation for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine?
The canonical SMILES for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine is Cc1cc(-c2nc(-c3ccco3)no2)c(N)s1.
What is the InChIKey of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine?
The InChIKey is XHWNNRNVVOSEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-6-5-7(9(12)17-6)11-13-10(14-16-11)8-3-2-4-15-8/h2-5H,12H2,1H3.
What are the key properties of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine?
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine has a molecular weight of 247.28 g/mol, XLogP of 2.95, 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]-5-methylthiophen-2-amine is sourced from PubChem (CID 55248190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).