3-[(2,4-difluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole

C13H8F2N2O2S — CID 47023807

IUPAC3-[(2,4-difluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESFc1ccc(OCc2noc(-c3ccsc3)n2)c(F)c1
InChIInChI=1S/C13H8F2N2O2S/c14-9-1-2-11(10(15)5-9)18-6-12-16-13(19-17-12)8-3-4-20-7-8/h1-5,7H,6H2
InChIKeyBFVSKKYMKQXUMY-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.66
Rot. Bonds4

About 3-[(2,4-difluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole

3-[(2,4-difluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 47023807) has the molecular formula C13H8F2N2O2S and a molecular weight of 294.28 g/mol. Its IUPAC name is 3-[(2,4-difluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2,4-difluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID47023807
Molecular FormulaC13H8F2N2O2S
Molecular Weight294.28 g/mol
Exact Mass294.03
IUPAC Name3-[(2,4-difluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESFc1ccc(OCc2noc(-c3ccsc3)n2)c(F)c1
InChIInChI=1S/C13H8F2N2O2S/c14-9-1-2-11(10(15)5-9)18-6-12-16-13(19-17-12)8-3-4-20-7-8/h1-5,7H,6H2
InChIKeyBFVSKKYMKQXUMY-UHFFFAOYSA-N
XLogP3.66
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718731
5-(3-Methoxyphenyl)-3-(2-thienyl)-1,2,4-oxadiazole
CID 718728
4-[(5-Thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile
CID 2739643
3-(2-Methoxyphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 1870209
3-(3-Methoxyphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 665971
3-(4-Methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 803048
5-[(4-Fluorophenoxy)methyl]-3-(2-thienyl)-1,2,4-oxadiazole
CID 1504302
3-[(2,4-Dichlorophenoxy)methyl]-5-(3-thienyl)-1,2,4-oxadiazole
CID 2739641
5-(3-Thienyl)-3-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,4-oxadiazole
CID 2739642
3-[(2,6-Dichloro-4-fluorophenoxy)methyl]-5-(3-thienyl)-1,2,4-oxadiazole
CID 2739748
Ethyl 4-{[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methoxy}benzoate
CID 2229716
3-Thiophen-2-yl-5-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,2,4-oxadiazole
CID 2741855

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2,4-difluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole (CID 47023807) is 3-[(2,4-difluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2,4-difluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2,4-difluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole is Fc1ccc(OCc2noc(-c3ccsc3)n2)c(F)c1.
What is the InChIKey of 3-[(2,4-difluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is BFVSKKYMKQXUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2S/c14-9-1-2-11(10(15)5-9)18-6-12-16-13(19-17-12)8-3-4-20-7-8/h1-5,7H,6H2.
What are the key properties of 3-[(2,4-difluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
3-[(2,4-difluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 294.28 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 47023807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).