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

C11H10N4O2 — CID 71996933

IUPAC5-(furan-3-yl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1cnn(Cc2noc(-c3ccoc3)n2)c1
InChIInChI=1S/C11H10N4O2/c1-8-4-12-15(5-8)6-10-13-11(17-14-10)9-2-3-16-7-9/h2-5,7H,6H2,1H3
InChIKeyQAFWOJJKHVAPGV-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.88
Rot. Bonds3

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

5-(furan-3-yl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 71996933) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 5-(furan-3-yl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(furan-3-yl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID71996933
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name5-(furan-3-yl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1cnn(Cc2noc(-c3ccoc3)n2)c1
InChIInChI=1S/C11H10N4O2/c1-8-4-12-15(5-8)6-10-13-11(17-14-10)9-2-3-16-7-9/h2-5,7H,6H2,1H3
InChIKeyQAFWOJJKHVAPGV-UHFFFAOYSA-N
XLogP1.88
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(furan-3-yl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole (CID 71996933) is 5-(furan-3-yl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(furan-3-yl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(furan-3-yl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole is Cc1cnn(Cc2noc(-c3ccoc3)n2)c1.
What is the InChIKey of 5-(furan-3-yl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is QAFWOJJKHVAPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-8-4-12-15(5-8)6-10-13-11(17-14-10)9-2-3-16-7-9/h2-5,7H,6H2,1H3.
What are the key properties of 5-(furan-3-yl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
5-(furan-3-yl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 230.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71996933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).