N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide

C22H18F4N8O3 — CID 162721999

IUPACN-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(-c2nnn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)n2)c1)N1CCOCC1
InChIInChI=1S/C22H18F4N8O3/c23-16-9-13(20-29-30-21(37-20)18(25)26)10-17(24)15(16)11-34-31-19(28-32-34)12-2-1-3-14(8-12)27-22(35)33-4-6-36-7-5-33/h1-3,8-10,18H,4-7,11H2,(H,27,35)
InChIKeyQDOOIPXYQTXKQY-UHFFFAOYSA-N
MW518.43 g/mol
LogP3.52
Rot. Bonds6

About N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide

N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide (PubChem CID 162721999) has the molecular formula C22H18F4N8O3 and a molecular weight of 518.43 g/mol. Its IUPAC name is N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide
PubChem CID162721999
Molecular FormulaC22H18F4N8O3
Molecular Weight518.43 g/mol
Exact Mass518.14
IUPAC NameN-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(-c2nnn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)n2)c1)N1CCOCC1
InChIInChI=1S/C22H18F4N8O3/c23-16-9-13(20-29-30-21(37-20)18(25)26)10-17(24)15(16)11-34-31-19(28-32-34)12-2-1-3-14(8-12)27-22(35)33-4-6-36-7-5-33/h1-3,8-10,18H,4-7,11H2,(H,27,35)
InChIKeyQDOOIPXYQTXKQY-UHFFFAOYSA-N
XLogP3.52
TPSA124.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide
CID 162721909
3-[5-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]-1,1-dimethylurea
CID 162722020
N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]morpholine-4-carboxamide
CID 162722067
6-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
CID 162722096
2-(Difluoromethyl)-5-[4-[[5-(3-fluoro-4-piperazin-1-ylphenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722102
7-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 162722214
N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide
CID 162722229
N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide
CID 162722239
N-(3-(2-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-2H-tetrazol-5-yl)phenyl)benzamide
CID 162722254
4-(2-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-2H-tetrazol-5-yl)-N1-methylbenzene-1,2-diamine
CID 162722352
6-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 162722392
N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]morpholine-4-carboxamide
CID 162722407

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide (CID 162721999) is N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide is O=C(Nc1cccc(-c2nnn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)n2)c1)N1CCOCC1.
What is the InChIKey of N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide?
The InChIKey is QDOOIPXYQTXKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N8O3/c23-16-9-13(20-29-30-21(37-20)18(25)26)10-17(24)15(16)11-34-31-19(28-32-34)12-2-1-3-14(8-12)27-22(35)33-4-6-36-7-5-33/h1-3,8-10,18H,4-7,11H2,(H,27,35).
What are the key properties of N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide?
N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide has a molecular weight of 518.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 162721999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).