5-(furan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole

C13H10N2O2 — CID 772298

IUPAC5-(furan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3ccco3)n2)cc1
InChIInChI=1S/C13H10N2O2/c1-9-4-6-10(7-5-9)12-14-13(17-15-12)11-3-2-8-16-11/h2-8H,1H3
InChIKeyNXXURVXTYOJCSP-UHFFFAOYSA-N
MW226.23 g/mol
LogP3.31
Rot. Bonds2

About 5-(furan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole

5-(furan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 772298) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID772298
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name5-(furan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3ccco3)n2)cc1
InChIInChI=1S/C13H10N2O2/c1-9-4-6-10(7-5-9)12-14-13(17-15-12)11-3-2-8-16-11/h2-8H,1H3
InChIKeyNXXURVXTYOJCSP-UHFFFAOYSA-N
XLogP3.31
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(furan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 772298) is 5-(furan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(furan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(furan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(-c3ccco3)n2)cc1.
What is the InChIKey of 5-(furan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is NXXURVXTYOJCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-9-4-6-10(7-5-9)12-14-13(17-15-12)11-3-2-8-16-11/h2-8H,1H3.
What are the key properties of 5-(furan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-(furan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 226.23 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 772298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).