2-[4-[[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole

C16H10BrF2N7O — CID 162722126

IUPAC2-[4-[[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(-c4cncc(Br)c4)n3)cc2)o1
InChIInChI=1S/C16H10BrF2N7O/c17-12-5-11(6-20-7-12)14-21-25-26(24-14)8-9-1-3-10(4-2-9)15-22-23-16(27-15)13(18)19/h1-7,13H,8H2
InChIKeyGWIAARGUZBSLOV-UHFFFAOYSA-N
MW434.20 g/mol
LogP3.53
Rot. Bonds5

About 2-[4-[[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole

2-[4-[[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole (PubChem CID 162722126) has the molecular formula C16H10BrF2N7O and a molecular weight of 434.20 g/mol. Its IUPAC name is 2-[4-[[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
PubChem CID162722126
Molecular FormulaC16H10BrF2N7O
Molecular Weight434.20 g/mol
Exact Mass433.01
IUPAC Name2-[4-[[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(-c4cncc(Br)c4)n3)cc2)o1
InChIInChI=1S/C16H10BrF2N7O/c17-12-5-11(6-20-7-12)14-21-25-26(24-14)8-9-1-3-10(4-2-9)15-22-23-16(27-15)13(18)19/h1-7,13H,8H2
InChIKeyGWIAARGUZBSLOV-UHFFFAOYSA-N
XLogP3.53
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.20
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole (CID 162722126) is 2-[4-[[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cn3nnc(-c4cncc(Br)c4)n3)cc2)o1.
What is the InChIKey of 2-[4-[[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The InChIKey is GWIAARGUZBSLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF2N7O/c17-12-5-11(6-20-7-12)14-21-25-26(24-14)8-9-1-3-10(4-2-9)15-22-23-16(27-15)13(18)19/h1-7,13H,8H2.
What are the key properties of 2-[4-[[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
2-[4-[[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole has a molecular weight of 434.20 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 162722126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).