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

C19H17F2N7O — CID 162722139

IUPAC2-(difluoromethyl)-5-[4-[[5-(2-pyridin-4-ylpropan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESCC(C)(c1ccncc1)c1nnn(Cc2ccc(-c3nnc(C(F)F)o3)cc2)n1
InChIInChI=1S/C19H17F2N7O/c1-19(2,14-7-9-22-10-8-14)18-25-27-28(26-18)11-12-3-5-13(6-4-12)16-23-24-17(29-16)15(20)21/h3-10,15H,11H2,1-2H3
InChIKeySTVWUKIZJSSOKH-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.43
Rot. Bonds6

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

2-(difluoromethyl)-5-[4-[[5-(2-pyridin-4-ylpropan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 162722139) has the molecular formula C19H17F2N7O and a molecular weight of 397.39 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[4-[[5-(2-pyridin-4-ylpropan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[4-[[5-(2-pyridin-4-ylpropan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
PubChem CID162722139
Molecular FormulaC19H17F2N7O
Molecular Weight397.39 g/mol
Exact Mass397.15
IUPAC Name2-(difluoromethyl)-5-[4-[[5-(2-pyridin-4-ylpropan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESCC(C)(c1ccncc1)c1nnn(Cc2ccc(-c3nnc(C(F)F)o3)cc2)n1
InChIInChI=1S/C19H17F2N7O/c1-19(2,14-7-9-22-10-8-14)18-25-27-28(26-18)11-12-3-5-13(6-4-12)16-23-24-17(29-16)15(20)21/h3-10,15H,11H2,1-2H3
InChIKeySTVWUKIZJSSOKH-UHFFFAOYSA-N
XLogP3.43
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[4-[[5-(2-pyridin-4-ylpropan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[4-[[5-(2-pyridin-4-ylpropan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole (CID 162722139) is 2-(difluoromethyl)-5-[4-[[5-(2-pyridin-4-ylpropan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[4-[[5-(2-pyridin-4-ylpropan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[4-[[5-(2-pyridin-4-ylpropan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole is CC(C)(c1ccncc1)c1nnn(Cc2ccc(-c3nnc(C(F)F)o3)cc2)n1.
What is the InChIKey of 2-(difluoromethyl)-5-[4-[[5-(2-pyridin-4-ylpropan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is STVWUKIZJSSOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N7O/c1-19(2,14-7-9-22-10-8-14)18-25-27-28(26-18)11-12-3-5-13(6-4-12)16-23-24-17(29-16)15(20)21/h3-10,15H,11H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-5-[4-[[5-(2-pyridin-4-ylpropan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[4-[[5-(2-pyridin-4-ylpropan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 397.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[4-[[5-(2-pyridin-4-ylpropan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162722139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).