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

C22H20F2N8O3 — CID 162722899

IUPACN-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)c1)N1CCOCC1
InChIInChI=1S/C22H20F2N8O3/c23-18(24)21-28-27-20(35-21)15-6-4-14(5-7-15)13-32-29-19(26-30-32)16-2-1-3-17(12-16)25-22(33)31-8-10-34-11-9-31/h1-7,12,18H,8-11,13H2,(H,25,33)
InChIKeyWMRGZFLDOWXBAD-UHFFFAOYSA-N
MW482.45 g/mol
LogP3.24
Rot. Bonds6

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

N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide (PubChem CID 162722899) has the molecular formula C22H20F2N8O3 and a molecular weight of 482.45 g/mol. Its IUPAC name is N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide
PubChem CID162722899
Molecular FormulaC22H20F2N8O3
Molecular Weight482.45 g/mol
Exact Mass482.16
IUPAC NameN-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)c1)N1CCOCC1
InChIInChI=1S/C22H20F2N8O3/c23-18(24)21-28-27-20(35-21)15-6-4-14(5-7-15)13-32-29-19(26-30-32)16-2-1-3-17(12-16)25-22(33)31-8-10-34-11-9-31/h1-7,12,18H,8-11,13H2,(H,25,33)
InChIKeyWMRGZFLDOWXBAD-UHFFFAOYSA-N
XLogP3.24
TPSA124.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.45
LogP ≤ 53.24
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-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 162721913
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
3-[5-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]-1,1-dimethylurea
CID 162722020
4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide
CID 162722049
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

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]morpholine-4-carboxamide?
The IUPAC name of N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide (CID 162722899) is N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]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]phenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide is O=C(Nc1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)c1)N1CCOCC1.
What is the InChIKey of N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide?
The InChIKey is WMRGZFLDOWXBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N8O3/c23-18(24)21-28-27-20(35-21)15-6-4-14(5-7-15)13-32-29-19(26-30-32)16-2-1-3-17(12-16)25-22(33)31-8-10-34-11-9-31/h1-7,12,18H,8-11,13H2,(H,25,33).
What are the key properties of N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide?
N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide has a molecular weight of 482.45 g/mol, XLogP of 3.24, 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]phenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 162722899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).