2-[5-bromo-2-(difluoromethoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole

C14H8BrF2N3O2 — CID 19550460

IUPAC2-[5-bromo-2-(difluoromethoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFC(F)Oc1ccc(Br)cc1-c1nnc(-c2ccncc2)o1
InChIInChI=1S/C14H8BrF2N3O2/c15-9-1-2-11(21-14(16)17)10(7-9)13-20-19-12(22-13)8-3-5-18-6-4-8/h1-7,14H
InChIKeyQVZHQMUVOZYDKX-UHFFFAOYSA-N
MW368.14 g/mol
LogP4.16
Rot. Bonds4

About 2-[5-bromo-2-(difluoromethoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[5-bromo-2-(difluoromethoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 19550460) has the molecular formula C14H8BrF2N3O2 and a molecular weight of 368.14 g/mol. Its IUPAC name is 2-[5-bromo-2-(difluoromethoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-bromo-2-(difluoromethoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID19550460
Molecular FormulaC14H8BrF2N3O2
Molecular Weight368.14 g/mol
Exact Mass366.98
IUPAC Name2-[5-bromo-2-(difluoromethoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFC(F)Oc1ccc(Br)cc1-c1nnc(-c2ccncc2)o1
InChIInChI=1S/C14H8BrF2N3O2/c15-9-1-2-11(21-14(16)17)10(7-9)13-20-19-12(22-13)8-3-5-18-6-4-8/h1-7,14H
InChIKeyQVZHQMUVOZYDKX-UHFFFAOYSA-N
XLogP4.16
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.14
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(difluoromethoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-bromo-2-(difluoromethoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 19550460) is 2-[5-bromo-2-(difluoromethoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-bromo-2-(difluoromethoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-bromo-2-(difluoromethoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole is FC(F)Oc1ccc(Br)cc1-c1nnc(-c2ccncc2)o1.
What is the InChIKey of 2-[5-bromo-2-(difluoromethoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is QVZHQMUVOZYDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF2N3O2/c15-9-1-2-11(21-14(16)17)10(7-9)13-20-19-12(22-13)8-3-5-18-6-4-8/h1-7,14H.
What are the key properties of 2-[5-bromo-2-(difluoromethoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[5-bromo-2-(difluoromethoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 368.14 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(difluoromethoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 19550460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).