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

C18H11F2N3O3 — CID 19552534

IUPAC2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFc1ccc(OCc2ccc(-c3nnc(-c4ccncc4)o3)o2)c(F)c1
InChIInChI=1S/C18H11F2N3O3/c19-12-1-3-15(14(20)9-12)24-10-13-2-4-16(25-13)18-23-22-17(26-18)11-5-7-21-8-6-11/h1-9H,10H2
InChIKeyJDROATFLQYLYRR-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.25
Rot. Bonds5

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

2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 19552534) has the molecular formula C18H11F2N3O3 and a molecular weight of 355.30 g/mol. Its IUPAC name is 2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID19552534
Molecular FormulaC18H11F2N3O3
Molecular Weight355.30 g/mol
Exact Mass355.08
IUPAC Name2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFc1ccc(OCc2ccc(-c3nnc(-c4ccncc4)o3)o2)c(F)c1
InChIInChI=1S/C18H11F2N3O3/c19-12-1-3-15(14(20)9-12)24-10-13-2-4-16(25-13)18-23-22-17(26-18)11-5-7-21-8-6-11/h1-9H,10H2
InChIKeyJDROATFLQYLYRR-UHFFFAOYSA-N
XLogP4.25
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 19552534) is 2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is Fc1ccc(OCc2ccc(-c3nnc(-c4ccncc4)o3)o2)c(F)c1.
What is the InChIKey of 2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is JDROATFLQYLYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N3O3/c19-12-1-3-15(14(20)9-12)24-10-13-2-4-16(25-13)18-23-22-17(26-18)11-5-7-21-8-6-11/h1-9H,10H2.
What are the key properties of 2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 355.30 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 19552534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).