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

C20H12F2N2O5 — CID 19552527

IUPAC2-(1,3-benzodioxol-5-yl)-5-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1,3,4-oxadiazole
SMILESFc1ccc(OCc2ccc(-c3nnc(-c4ccc5c(c4)OCO5)o3)o2)c(F)c1
InChIInChI=1S/C20H12F2N2O5/c21-12-2-5-15(14(22)8-12)25-9-13-3-6-17(28-13)20-24-23-19(29-20)11-1-4-16-18(7-11)27-10-26-16/h1-8H,9-10H2
InChIKeyTYZVXRXVUADPQM-UHFFFAOYSA-N
MW398.32 g/mol
LogP4.58
Rot. Bonds5

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

2-(1,3-benzodioxol-5-yl)-5-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1,3,4-oxadiazole (PubChem CID 19552527) has the molecular formula C20H12F2N2O5 and a molecular weight of 398.32 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-5-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-5-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1,3,4-oxadiazole
PubChem CID19552527
Molecular FormulaC20H12F2N2O5
Molecular Weight398.32 g/mol
Exact Mass398.07
IUPAC Name2-(1,3-benzodioxol-5-yl)-5-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1,3,4-oxadiazole
SMILESFc1ccc(OCc2ccc(-c3nnc(-c4ccc5c(c4)OCO5)o3)o2)c(F)c1
InChIInChI=1S/C20H12F2N2O5/c21-12-2-5-15(14(22)8-12)25-9-13-3-6-17(28-13)20-24-23-19(29-20)11-1-4-16-18(7-11)27-10-26-16/h1-8H,9-10H2
InChIKeyTYZVXRXVUADPQM-UHFFFAOYSA-N
XLogP4.58
TPSA79.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.32
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 19552802
2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19552523
2-(1,3-benzodioxol-5-yl)-5-[3-[(2-bromophenoxy)methyl]phenyl]-1,3,4-oxadiazole
CID 19542619
2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
CID 110655751
2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
CID 903866
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 2595421
2-[5-[(2-bromophenoxy)methyl]furan-2-yl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 19542296
2-(1,3-benzodioxol-5-yl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazole
CID 19552640
2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 19552807
2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 756146
5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-carbonitrile
CID 154190788
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 2595437

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1,3,4-oxadiazole (CID 19552527) is 2-(1,3-benzodioxol-5-yl)-5-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-5-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-5-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1,3,4-oxadiazole is Fc1ccc(OCc2ccc(-c3nnc(-c4ccc5c(c4)OCO5)o3)o2)c(F)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-5-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1,3,4-oxadiazole?
The InChIKey is TYZVXRXVUADPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O5/c21-12-2-5-15(14(22)8-12)25-9-13-3-6-17(28-13)20-24-23-19(29-20)11-1-4-16-18(7-11)27-10-26-16/h1-8H,9-10H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-5-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1,3,4-oxadiazole?
2-(1,3-benzodioxol-5-yl)-5-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1,3,4-oxadiazole has a molecular weight of 398.32 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-5-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 19552527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).