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

C11H9N3O2S — CID 113454313

IUPAC5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1ccoc1-c1noc(-c2ccc(N)s2)n1
InChIInChI=1S/C11H9N3O2S/c1-6-4-5-15-9(6)10-13-11(16-14-10)7-2-3-8(12)17-7/h2-5H,12H2,1H3
InChIKeyVQGNBSLWYKTEDH-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.95
Rot. Bonds2

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

5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 113454313) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID113454313
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1ccoc1-c1noc(-c2ccc(N)s2)n1
InChIInChI=1S/C11H9N3O2S/c1-6-4-5-15-9(6)10-13-11(16-14-10)7-2-3-8(12)17-7/h2-5H,12H2,1H3
InChIKeyVQGNBSLWYKTEDH-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 5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 113454313) is 5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Cc1ccoc1-c1noc(-c2ccc(N)s2)n1.
What is the InChIKey of 5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is VQGNBSLWYKTEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-6-4-5-15-9(6)10-13-11(16-14-10)7-2-3-8(12)17-7/h2-5H,12H2,1H3.
What are the key properties of 5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-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 5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 113454313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).