2-amino-4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol

C17H13F2N7O2 — CID 162722709

IUPAC2-amino-4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol
SMILESNc1cc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)ccc1O
InChIInChI=1S/C17H13F2N7O2/c18-14(19)17-23-22-16(28-17)10-3-1-9(2-4-10)8-26-24-15(21-25-26)11-5-6-13(27)12(20)7-11/h1-7,14,27H,8,20H2
InChIKeyZXXYKWHGLQYULG-UHFFFAOYSA-N
MW385.33 g/mol
LogP2.66
Rot. Bonds5

About 2-amino-4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol

2-amino-4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol (PubChem CID 162722709) has the molecular formula C17H13F2N7O2 and a molecular weight of 385.33 g/mol. Its IUPAC name is 2-amino-4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol.

Molecular Properties

Compound Name2-amino-4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol
PubChem CID162722709
Molecular FormulaC17H13F2N7O2
Molecular Weight385.33 g/mol
Exact Mass385.11
IUPAC Name2-amino-4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol
SMILESNc1cc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)ccc1O
InChIInChI=1S/C17H13F2N7O2/c18-14(19)17-23-22-16(28-17)10-3-1-9(2-4-10)8-26-24-15(21-25-26)11-5-6-13(27)12(20)7-11/h1-7,14,27H,8,20H2
InChIKeyZXXYKWHGLQYULG-UHFFFAOYSA-N
XLogP2.66
TPSA128.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol?
The IUPAC name of 2-amino-4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol (CID 162722709) is 2-amino-4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol.
What is the SMILES notation for 2-amino-4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol?
The canonical SMILES for 2-amino-4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol is Nc1cc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)ccc1O.
What is the InChIKey of 2-amino-4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol?
The InChIKey is ZXXYKWHGLQYULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N7O2/c18-14(19)17-23-22-16(28-17)10-3-1-9(2-4-10)8-26-24-15(21-25-26)11-5-6-13(27)12(20)7-11/h1-7,14,27H,8,20H2.
What are the key properties of 2-amino-4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol?
2-amino-4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol has a molecular weight of 385.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol is sourced from PubChem (CID 162722709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).