2-(3,5-difluorophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole

C16H9F2N5O2 — CID 53153737

IUPAC2-(3,5-difluorophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
SMILESFc1cc(F)cc(-c2nnc(Cc3nc(-c4ccncc4)no3)o2)c1
InChIInChI=1S/C16H9F2N5O2/c17-11-5-10(6-12(18)7-11)16-22-21-14(24-16)8-13-20-15(23-25-13)9-1-3-19-4-2-9/h1-7H,8H2
InChIKeyLOBCMTQIGHVOPY-UHFFFAOYSA-N
MW341.28 g/mol
LogP3.05
Rot. Bonds4

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

2-(3,5-difluorophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole (PubChem CID 53153737) has the molecular formula C16H9F2N5O2 and a molecular weight of 341.28 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
PubChem CID53153737
Molecular FormulaC16H9F2N5O2
Molecular Weight341.28 g/mol
Exact Mass341.07
IUPAC Name2-(3,5-difluorophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
SMILESFc1cc(F)cc(-c2nnc(Cc3nc(-c4ccncc4)no3)o2)c1
InChIInChI=1S/C16H9F2N5O2/c17-11-5-10(6-12(18)7-11)16-22-21-14(24-16)8-13-20-15(23-25-13)9-1-3-19-4-2-9/h1-7H,8H2
InChIKeyLOBCMTQIGHVOPY-UHFFFAOYSA-N
XLogP3.05
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3,5-difluorophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole (CID 53153737) is 2-(3,5-difluorophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,5-difluorophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,5-difluorophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole is Fc1cc(F)cc(-c2nnc(Cc3nc(-c4ccncc4)no3)o2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is LOBCMTQIGHVOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N5O2/c17-11-5-10(6-12(18)7-11)16-22-21-14(24-16)8-13-20-15(23-25-13)9-1-3-19-4-2-9/h1-7H,8H2.
What are the key properties of 2-(3,5-difluorophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
2-(3,5-difluorophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 341.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 53153737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).