5-(furan-2-ylmethyl)-3-methyl-1,2,4-oxadiazole

C8H8N2O2 — CID 90327741

IUPAC5-(furan-2-ylmethyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(Cc2ccco2)n1
InChIInChI=1S/C8H8N2O2/c1-6-9-8(12-10-6)5-7-3-2-4-11-7/h2-4H,5H2,1H3
InChIKeyMCKUMCVUBJFWMS-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.56
Rot. Bonds2

About 5-(furan-2-ylmethyl)-3-methyl-1,2,4-oxadiazole

5-(furan-2-ylmethyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 90327741) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 5-(furan-2-ylmethyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(furan-2-ylmethyl)-3-methyl-1,2,4-oxadiazole
PubChem CID90327741
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name5-(furan-2-ylmethyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(Cc2ccco2)n1
InChIInChI=1S/C8H8N2O2/c1-6-9-8(12-10-6)5-7-3-2-4-11-7/h2-4H,5H2,1H3
InChIKeyMCKUMCVUBJFWMS-UHFFFAOYSA-N
XLogP1.56
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(furan-2-ylmethyl)-3-methyl-1,2,4-oxadiazole (CID 90327741) is 5-(furan-2-ylmethyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(furan-2-ylmethyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(furan-2-ylmethyl)-3-methyl-1,2,4-oxadiazole is Cc1noc(Cc2ccco2)n1.
What is the InChIKey of 5-(furan-2-ylmethyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is MCKUMCVUBJFWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-6-9-8(12-10-6)5-7-3-2-4-11-7/h2-4H,5H2,1H3.
What are the key properties of 5-(furan-2-ylmethyl)-3-methyl-1,2,4-oxadiazole?
5-(furan-2-ylmethyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 164.16 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 90327741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).