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

C14H12N2O3 — CID 692974

IUPAC2-(4-ethoxyphenyl)-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C14H12N2O3/c1-2-17-11-7-5-10(6-8-11)13-15-16-14(19-13)12-4-3-9-18-12/h3-9H,2H2,1H3
InChIKeyJXFLBGVQIPHSBV-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.40
Rot. Bonds4

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

2-(4-ethoxyphenyl)-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 692974) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID692974
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-(4-ethoxyphenyl)-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C14H12N2O3/c1-2-17-11-7-5-10(6-8-11)13-15-16-14(19-13)12-4-3-9-18-12/h3-9H,2H2,1H3
InChIKeyJXFLBGVQIPHSBV-UHFFFAOYSA-N
XLogP3.40
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-ethoxyphenyl)-5-(furan-2-yl)-1,3,4-oxadiazole (CID 692974) is 2-(4-ethoxyphenyl)-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-(furan-2-yl)-1,3,4-oxadiazole is CCOc1ccc(-c2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is JXFLBGVQIPHSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-2-17-11-7-5-10(6-8-11)13-15-16-14(19-13)12-4-3-9-18-12/h3-9H,2H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
2-(4-ethoxyphenyl)-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 256.26 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 692974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).