2-methyl-5-[(5-methylfuran-2-yl)methyl]-1,3,4-oxadiazole

C9H10N2O2 — CID 130662821

IUPAC2-methyl-5-[(5-methylfuran-2-yl)methyl]-1,3,4-oxadiazole
SMILESCc1ccc(Cc2nnc(C)o2)o1
InChIInChI=1S/C9H10N2O2/c1-6-3-4-8(12-6)5-9-11-10-7(2)13-9/h3-4H,5H2,1-2H3
InChIKeyXTKHOGIRNIQTKS-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.87
Rot. Bonds2

About 2-methyl-5-[(5-methylfuran-2-yl)methyl]-1,3,4-oxadiazole

2-methyl-5-[(5-methylfuran-2-yl)methyl]-1,3,4-oxadiazole (PubChem CID 130662821) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-methyl-5-[(5-methylfuran-2-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(5-methylfuran-2-yl)methyl]-1,3,4-oxadiazole
PubChem CID130662821
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-methyl-5-[(5-methylfuran-2-yl)methyl]-1,3,4-oxadiazole
SMILESCc1ccc(Cc2nnc(C)o2)o1
InChIInChI=1S/C9H10N2O2/c1-6-3-4-8(12-6)5-9-11-10-7(2)13-9/h3-4H,5H2,1-2H3
InChIKeyXTKHOGIRNIQTKS-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(5-methylfuran-2-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(5-methylfuran-2-yl)methyl]-1,3,4-oxadiazole (CID 130662821) is 2-methyl-5-[(5-methylfuran-2-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(5-methylfuran-2-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(5-methylfuran-2-yl)methyl]-1,3,4-oxadiazole is Cc1ccc(Cc2nnc(C)o2)o1.
What is the InChIKey of 2-methyl-5-[(5-methylfuran-2-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is XTKHOGIRNIQTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6-3-4-8(12-6)5-9-11-10-7(2)13-9/h3-4H,5H2,1-2H3.
What are the key properties of 2-methyl-5-[(5-methylfuran-2-yl)methyl]-1,3,4-oxadiazole?
2-methyl-5-[(5-methylfuran-2-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 178.19 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(5-methylfuran-2-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 130662821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).