2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline

C16H10F3N7O — CID 155224026

IUPAC2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1ccc(Nc2ccccc2-c2nnc(-c3nn[nH]n3)o2)cc1
InChIInChI=1S/C16H10F3N7O/c17-16(18,19)9-5-7-10(8-6-9)20-12-4-2-1-3-11(12)14-23-24-15(27-14)13-21-25-26-22-13/h1-8,20H,(H,21,22,25,26)
InChIKeyGTNNYDYVDFTOBE-UHFFFAOYSA-N
MW373.30 g/mol
LogP3.68
Rot. Bonds4

About 2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline

2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 155224026) has the molecular formula C16H10F3N7O and a molecular weight of 373.30 g/mol. Its IUPAC name is 2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID155224026
Molecular FormulaC16H10F3N7O
Molecular Weight373.30 g/mol
Exact Mass373.09
IUPAC Name2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1ccc(Nc2ccccc2-c2nnc(-c3nn[nH]n3)o2)cc1
InChIInChI=1S/C16H10F3N7O/c17-16(18,19)9-5-7-10(8-6-9)20-12-4-2-1-3-11(12)14-23-24-15(27-14)13-21-25-26-22-13/h1-8,20H,(H,21,22,25,26)
InChIKeyGTNNYDYVDFTOBE-UHFFFAOYSA-N
XLogP3.68
TPSA105.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline (CID 155224026) is 2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline is FC(F)(F)c1ccc(Nc2ccccc2-c2nnc(-c3nn[nH]n3)o2)cc1.
What is the InChIKey of 2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is GTNNYDYVDFTOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N7O/c17-16(18,19)9-5-7-10(8-6-9)20-12-4-2-1-3-11(12)14-23-24-15(27-14)13-21-25-26-22-13/h1-8,20H,(H,21,22,25,26).
What are the key properties of 2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 373.30 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 155224026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).