2-(2H-tetrazol-5-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole

C17H11F3N6O — CID 159208461

IUPAC2-(2H-tetrazol-5-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(Cc2ccccc2-c2nnc(-c3nn[nH]n3)o2)cc1
InChIInChI=1S/C17H11F3N6O/c18-17(19,20)12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15-23-24-16(27-15)14-21-25-26-22-14/h1-8H,9H2,(H,21,22,25,26)
InChIKeyDOITZTFEFSCAGG-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.53
Rot. Bonds4

About 2-(2H-tetrazol-5-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole

2-(2H-tetrazol-5-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 159208461) has the molecular formula C17H11F3N6O and a molecular weight of 372.31 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole
PubChem CID159208461
Molecular FormulaC17H11F3N6O
Molecular Weight372.31 g/mol
Exact Mass372.09
IUPAC Name2-(2H-tetrazol-5-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(Cc2ccccc2-c2nnc(-c3nn[nH]n3)o2)cc1
InChIInChI=1S/C17H11F3N6O/c18-17(19,20)12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15-23-24-16(27-15)14-21-25-26-22-14/h1-8H,9H2,(H,21,22,25,26)
InChIKeyDOITZTFEFSCAGG-UHFFFAOYSA-N
XLogP3.53
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2H-tetrazol-5-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole (CID 159208461) is 2-(2H-tetrazol-5-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2H-tetrazol-5-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole is FC(F)(F)c1ccc(Cc2ccccc2-c2nnc(-c3nn[nH]n3)o2)cc1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is DOITZTFEFSCAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6O/c18-17(19,20)12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15-23-24-16(27-15)14-21-25-26-22-14/h1-8H,9H2,(H,21,22,25,26).
What are the key properties of 2-(2H-tetrazol-5-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole?
2-(2H-tetrazol-5-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 372.31 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 159208461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).