5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole

C16H12F2N2O2 — CID 42851412

IUPAC5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2noc(-c3cc(F)cc(F)c3)n2)cc1
InChIInChI=1S/C16H12F2N2O2/c1-2-21-14-5-3-10(4-6-14)15-19-16(22-20-15)11-7-12(17)9-13(18)8-11/h3-9H,2H2,1H3
InChIKeyKCNFGGAOFCZNEA-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.08
Rot. Bonds4

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

5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 42851412) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
PubChem CID42851412
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2noc(-c3cc(F)cc(F)c3)n2)cc1
InChIInChI=1S/C16H12F2N2O2/c1-2-21-14-5-3-10(4-6-14)15-19-16(22-20-15)11-7-12(17)9-13(18)8-11/h3-9H,2H2,1H3
InChIKeyKCNFGGAOFCZNEA-UHFFFAOYSA-N
XLogP4.08
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole
CID 46044140
3-(4-ethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527903
3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 42585039
5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 4916212
3-(4-ethoxyphenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
CID 46052852
3-[4-[(3-fluorophenyl)methoxy]phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 46044104
5-[(4-bromo-2-fluorophenoxy)methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
CID 30823965
5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 18591770
N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103323
3-(4-butoxyphenyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 2054878
N-(4-ethoxyphenyl)-N-ethyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 6625029

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole (CID 42851412) is 5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole is CCOc1ccc(-c2noc(-c3cc(F)cc(F)c3)n2)cc1.
What is the InChIKey of 5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is KCNFGGAOFCZNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c1-2-21-14-5-3-10(4-6-14)15-19-16(22-20-15)11-7-12(17)9-13(18)8-11/h3-9H,2H2,1H3.
What are the key properties of 5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole?
5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 302.28 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42851412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).