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

C18H14F2N8O2 — CID 162722112

IUPAC2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]benzamide
SMILESNC(=O)c1cc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)ccc1N
InChIInChI=1S/C18H14F2N8O2/c19-14(20)18-25-24-17(30-18)10-3-1-9(2-4-10)8-28-26-16(23-27-28)11-5-6-13(21)12(7-11)15(22)29/h1-7,14H,8,21H2,(H2,22,29)
InChIKeyZATFIMZVXUQMTG-UHFFFAOYSA-N
MW412.36 g/mol
LogP2.06
Rot. Bonds6

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

2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]benzamide (PubChem CID 162722112) has the molecular formula C18H14F2N8O2 and a molecular weight of 412.36 g/mol. Its IUPAC name is 2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]benzamide.

Molecular Properties

Compound Name2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]benzamide
PubChem CID162722112
Molecular FormulaC18H14F2N8O2
Molecular Weight412.36 g/mol
Exact Mass412.12
IUPAC Name2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]benzamide
SMILESNC(=O)c1cc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)ccc1N
InChIInChI=1S/C18H14F2N8O2/c19-14(20)18-25-24-17(30-18)10-3-1-9(2-4-10)8-28-26-16(23-27-28)11-5-6-13(21)12(7-11)15(22)29/h1-7,14H,8,21H2,(H2,22,29)
InChIKeyZATFIMZVXUQMTG-UHFFFAOYSA-N
XLogP2.06
TPSA151.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]benzamide?
The IUPAC name of 2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]benzamide (CID 162722112) is 2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]benzamide.
What is the SMILES notation for 2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]benzamide?
The canonical SMILES for 2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]benzamide is NC(=O)c1cc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)ccc1N.
What is the InChIKey of 2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]benzamide?
The InChIKey is ZATFIMZVXUQMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N8O2/c19-14(20)18-25-24-17(30-18)10-3-1-9(2-4-10)8-28-26-16(23-27-28)11-5-6-13(21)12(7-11)15(22)29/h1-7,14H,8,21H2,(H2,22,29).
What are the key properties of 2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]benzamide?
2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]benzamide has a molecular weight of 412.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]benzamide is sourced from PubChem (CID 162722112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).