3-ethyl-5-(5-methylfuran-2-yl)-1,2,4-oxadiazole

C9H10N2O2 — CID 131159596

IUPAC3-ethyl-5-(5-methylfuran-2-yl)-1,2,4-oxadiazole
SMILESCCc1noc(-c2ccc(C)o2)n1
InChIInChI=1S/C9H10N2O2/c1-3-8-10-9(13-11-8)7-5-4-6(2)12-7/h4-5H,3H2,1-2H3
InChIKeyYQZIPZYVPZXQBY-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.20
Rot. Bonds2

About 3-ethyl-5-(5-methylfuran-2-yl)-1,2,4-oxadiazole

3-ethyl-5-(5-methylfuran-2-yl)-1,2,4-oxadiazole (PubChem CID 131159596) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-ethyl-5-(5-methylfuran-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-(5-methylfuran-2-yl)-1,2,4-oxadiazole
PubChem CID131159596
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name3-ethyl-5-(5-methylfuran-2-yl)-1,2,4-oxadiazole
SMILESCCc1noc(-c2ccc(C)o2)n1
InChIInChI=1S/C9H10N2O2/c1-3-8-10-9(13-11-8)7-5-4-6(2)12-7/h4-5H,3H2,1-2H3
InChIKeyYQZIPZYVPZXQBY-UHFFFAOYSA-N
XLogP2.20
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(5-methylfuran-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-(5-methylfuran-2-yl)-1,2,4-oxadiazole (CID 131159596) is 3-ethyl-5-(5-methylfuran-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-(5-methylfuran-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-(5-methylfuran-2-yl)-1,2,4-oxadiazole is CCc1noc(-c2ccc(C)o2)n1.
What is the InChIKey of 3-ethyl-5-(5-methylfuran-2-yl)-1,2,4-oxadiazole?
The InChIKey is YQZIPZYVPZXQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-3-8-10-9(13-11-8)7-5-4-6(2)12-7/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-(5-methylfuran-2-yl)-1,2,4-oxadiazole?
3-ethyl-5-(5-methylfuran-2-yl)-1,2,4-oxadiazole has a molecular weight of 178.19 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(5-methylfuran-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 131159596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).