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

C20H14F2N8O — CID 162722540

IUPAC2-(difluoromethyl)-5-[4-[[5-(3-pyrazol-1-ylphenyl)tetrazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnnc3-c3cccc(-n4cccn4)c3)cc2)o1
InChIInChI=1S/C20H14F2N8O/c21-17(22)20-26-25-19(31-20)14-7-5-13(6-8-14)12-30-18(24-27-28-30)15-3-1-4-16(11-15)29-10-2-9-23-29/h1-11,17H,12H2
InChIKeyTVDCKSMBBGVILB-UHFFFAOYSA-N
MW420.38 g/mol
LogP3.56
Rot. Bonds6

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

2-(difluoromethyl)-5-[4-[[5-(3-pyrazol-1-ylphenyl)tetrazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 162722540) has the molecular formula C20H14F2N8O and a molecular weight of 420.38 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[4-[[5-(3-pyrazol-1-ylphenyl)tetrazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[4-[[5-(3-pyrazol-1-ylphenyl)tetrazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
PubChem CID162722540
Molecular FormulaC20H14F2N8O
Molecular Weight420.38 g/mol
Exact Mass420.13
IUPAC Name2-(difluoromethyl)-5-[4-[[5-(3-pyrazol-1-ylphenyl)tetrazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnnc3-c3cccc(-n4cccn4)c3)cc2)o1
InChIInChI=1S/C20H14F2N8O/c21-17(22)20-26-25-19(31-20)14-7-5-13(6-8-14)12-30-18(24-27-28-30)15-3-1-4-16(11-15)29-10-2-9-23-29/h1-11,17H,12H2
InChIKeyTVDCKSMBBGVILB-UHFFFAOYSA-N
XLogP3.56
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(difluoromethyl)-5-[4-[[4-(3-fluorophenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722537
2-(difluoromethyl)-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole
CID 155712024
2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 162510988
3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-6-phenylpyrimidin-4-one
CID 178112122
2-(difluoromethyl)-5-[4-[[4-[3-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162443660
tert-butyl 4-[5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 169049702
N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]formamide
CID 162443025
4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine
CID 162443136
2-(difluoromethyl)-5-[2-[2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-pyridinyl]-1,3,4-oxadiazole
CID 154665099
2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162511065
6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine
CID 169049723
2-(difluoromethyl)-5-[4-[[4-(1H-indol-7-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162443337

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[4-[[5-(3-pyrazol-1-ylphenyl)tetrazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[4-[[5-(3-pyrazol-1-ylphenyl)tetrazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole (CID 162722540) is 2-(difluoromethyl)-5-[4-[[5-(3-pyrazol-1-ylphenyl)tetrazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[4-[[5-(3-pyrazol-1-ylphenyl)tetrazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[4-[[5-(3-pyrazol-1-ylphenyl)tetrazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cn3nnnc3-c3cccc(-n4cccn4)c3)cc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[4-[[5-(3-pyrazol-1-ylphenyl)tetrazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is TVDCKSMBBGVILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N8O/c21-17(22)20-26-25-19(31-20)14-7-5-13(6-8-14)12-30-18(24-27-28-30)15-3-1-4-16(11-15)29-10-2-9-23-29/h1-11,17H,12H2.
What are the key properties of 2-(difluoromethyl)-5-[4-[[5-(3-pyrazol-1-ylphenyl)tetrazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[4-[[5-(3-pyrazol-1-ylphenyl)tetrazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 420.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[4-[[5-(3-pyrazol-1-ylphenyl)tetrazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162722540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).