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

C15H14N2O2 — CID 86010193

IUPAC2-(2,5-dimethylfuran-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cc(C)oc3C)o2)cc1
InChIInChI=1S/C15H14N2O2/c1-9-4-6-12(7-5-9)14-16-17-15(19-14)13-8-10(2)18-11(13)3/h4-8H,1-3H3
InChIKeyQGMBDSRYAKYZRT-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.92
Rot. Bonds2

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

2-(2,5-dimethylfuran-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 86010193) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID86010193
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-(2,5-dimethylfuran-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cc(C)oc3C)o2)cc1
InChIInChI=1S/C15H14N2O2/c1-9-4-6-12(7-5-9)14-16-17-15(19-14)13-8-10(2)18-11(13)3/h4-8H,1-3H3
InChIKeyQGMBDSRYAKYZRT-UHFFFAOYSA-N
XLogP3.92
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 86010193) is 2-(2,5-dimethylfuran-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3cc(C)oc3C)o2)cc1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is QGMBDSRYAKYZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9-4-6-12(7-5-9)14-16-17-15(19-14)13-8-10(2)18-11(13)3/h4-8H,1-3H3.
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-(2,5-dimethylfuran-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 254.29 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 86010193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).