2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole

C20H18F2N4O3 — CID 19552523

IUPAC2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1cc(C)n(CCc2nnc(-c3ccc(COc4ccc(F)cc4F)o3)o2)n1
InChIInChI=1S/C20H18F2N4O3/c1-12-9-13(2)26(25-12)8-7-19-23-24-20(29-19)18-6-4-15(28-18)11-27-17-5-3-14(21)10-16(17)22/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyRWAQTKXCDAOYBL-UHFFFAOYSA-N
MW400.39 g/mol
LogP4.24
Rot. Bonds7

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

2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole (PubChem CID 19552523) has the molecular formula C20H18F2N4O3 and a molecular weight of 400.39 g/mol. Its IUPAC name is 2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
PubChem CID19552523
Molecular FormulaC20H18F2N4O3
Molecular Weight400.39 g/mol
Exact Mass400.13
IUPAC Name2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1cc(C)n(CCc2nnc(-c3ccc(COc4ccc(F)cc4F)o3)o2)n1
InChIInChI=1S/C20H18F2N4O3/c1-12-9-13(2)26(25-12)8-7-19-23-24-20(29-19)18-6-4-15(28-18)11-27-17-5-3-14(21)10-16(17)22/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyRWAQTKXCDAOYBL-UHFFFAOYSA-N
XLogP4.24
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole
CID 19542141
2-(1,3-benzodioxol-5-yl)-5-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1,3,4-oxadiazole
CID 19552527
3-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-4-amine
CID 19554452
1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole
CID 55604203
5-[(2,4-difluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 4865246
2-[(3,4-diethoxyphenyl)methyl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19542577
2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
CID 110655751
2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
CID 39360983
3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid
CID 39384244
13-(difluoromethyl)-4-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-11-methyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene
CID 19589871
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole
CID 19552854
2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19550576

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole (CID 19552523) is 2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole is Cc1cc(C)n(CCc2nnc(-c3ccc(COc4ccc(F)cc4F)o3)o2)n1.
What is the InChIKey of 2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
The InChIKey is RWAQTKXCDAOYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3/c1-12-9-13(2)26(25-12)8-7-19-23-24-20(29-19)18-6-4-15(28-18)11-27-17-5-3-14(21)10-16(17)22/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole has a molecular weight of 400.39 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 19552523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).