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

C24H17F2N7O2 — CID 162722254

IUPACN-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)c1)c1ccccc1
InChIInChI=1S/C24H17F2N7O2/c25-20(26)24-30-29-23(35-24)17-11-9-15(10-12-17)14-33-31-21(28-32-33)18-7-4-8-19(13-18)27-22(34)16-5-2-1-3-6-16/h1-13,20H,14H2,(H,27,34)
InChIKeyDKRKBZWUKWYLOC-UHFFFAOYSA-N
MW473.44 g/mol
LogP4.63
Rot. Bonds7

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

N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]benzamide (PubChem CID 162722254) has the molecular formula C24H17F2N7O2 and a molecular weight of 473.44 g/mol. Its IUPAC name is N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]benzamide
PubChem CID162722254
Molecular FormulaC24H17F2N7O2
Molecular Weight473.44 g/mol
Exact Mass473.14
IUPAC NameN-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)c1)c1ccccc1
InChIInChI=1S/C24H17F2N7O2/c25-20(26)24-30-29-23(35-24)17-11-9-15(10-12-17)14-33-31-21(28-32-33)18-7-4-8-19(13-18)27-22(34)16-5-2-1-3-6-16/h1-13,20H,14H2,(H,27,34)
InChIKeyDKRKBZWUKWYLOC-UHFFFAOYSA-N
XLogP4.63
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]benzamide (CID 162722254) is N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]benzamide is O=C(Nc1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)c1)c1ccccc1.
What is the InChIKey of N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]benzamide?
The InChIKey is DKRKBZWUKWYLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N7O2/c25-20(26)24-30-29-23(35-24)17-11-9-15(10-12-17)14-33-31-21(28-32-33)18-7-4-8-19(13-18)27-22(34)16-5-2-1-3-6-16/h1-13,20H,14H2,(H,27,34).
What are the key properties of N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]benzamide?
N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]benzamide has a molecular weight of 473.44 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 162722254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).