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

C7H6N2O2 — CID 90725557

IUPAC3-(furan-2-ylmethyl)-1,2,4-oxadiazole
SMILESc1coc(Cc2ncon2)c1
InChIInChI=1S/C7H6N2O2/c1-2-6(10-3-1)4-7-8-5-11-9-7/h1-3,5H,4H2
InChIKeyDHWPIFJDKBARLB-UHFFFAOYSA-N
MW150.14 g/mol
LogP1.25
Rot. Bonds2

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

3-(furan-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 90725557) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID90725557
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name3-(furan-2-ylmethyl)-1,2,4-oxadiazole
SMILESc1coc(Cc2ncon2)c1
InChIInChI=1S/C7H6N2O2/c1-2-6(10-3-1)4-7-8-5-11-9-7/h1-3,5H,4H2
InChIKeyDHWPIFJDKBARLB-UHFFFAOYSA-N
XLogP1.25
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-2-ylmethyl)-1,2,4-oxadiazole (CID 90725557) is 3-(furan-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-2-ylmethyl)-1,2,4-oxadiazole is c1coc(Cc2ncon2)c1.
What is the InChIKey of 3-(furan-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is DHWPIFJDKBARLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c1-2-6(10-3-1)4-7-8-5-11-9-7/h1-3,5H,4H2.
What are the key properties of 3-(furan-2-ylmethyl)-1,2,4-oxadiazole?
3-(furan-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 150.14 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 90725557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).