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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Related Compounds

2-(4-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 70052
2-(2-Furyl)-5-phenyl-1,3,4-oxadiazole
CID 84193
1-[5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl]-7-phenylheptan-1-one
CID 44391726
2-(Furan-2-yl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole
CID 687460
2-(4-Chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 707391
8-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-octan-1-one
CID 44389967
2-(2-Furyl)-5-[(3-methylbenzyl)sulfanyl]-1,3,4-oxadiazole
CID 1475102
2-[[5-(2-Furanyl)-1,3,4-oxadiazol-2-yl]thio]-1-(2-methoxyphenyl)ethanone
CID 2424786
[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate
CID 6460267
4-(1,3,4-Oxadiazol-2-yl)phenyl 5-methylfuran-2-carboxylate
CID 24981890
1-[3-({[5-(2-Furyl)-1,3,4-oxadiazol-2-yl]thio}methyl)-2,4,6-trimethylphenyl]ethanone
CID 600149
2-{[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio}-1-(5-methyl-2-furyl)ethanone
CID 676149

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).