[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone

C22H18F3N7O3 — CID 162722453

IUPAC[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)c(F)c3)n2)c1)N1CCOCC1
InChIInChI=1S/C22H18F3N7O3/c23-17-10-13(4-5-16(17)20-27-28-21(35-20)18(24)25)12-32-29-19(26-30-32)14-2-1-3-15(11-14)22(33)31-6-8-34-9-7-31/h1-5,10-11,18H,6-9,12H2
InChIKeyACBDYRHDGLEULR-UHFFFAOYSA-N
MW485.43 g/mol
LogP2.99
Rot. Bonds6

About [3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone

[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 162722453) has the molecular formula C22H18F3N7O3 and a molecular weight of 485.43 g/mol. Its IUPAC name is [3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID162722453
Molecular FormulaC22H18F3N7O3
Molecular Weight485.43 g/mol
Exact Mass485.14
IUPAC Name[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)c(F)c3)n2)c1)N1CCOCC1
InChIInChI=1S/C22H18F3N7O3/c23-17-10-13(4-5-16(17)20-27-28-21(35-20)18(24)25)12-32-29-19(26-30-32)14-2-1-3-15(11-14)22(33)31-6-8-34-9-7-31/h1-5,10-11,18H,6-9,12H2
InChIKeyACBDYRHDGLEULR-UHFFFAOYSA-N
XLogP2.99
TPSA112.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[3-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 162721913
7-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 162721938
2-(Difluoromethyl)-5-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162721981
3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylbenzamide
CID 162722008
6-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one
CID 162722013
4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide
CID 162722049
3-(2-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-2H-tetrazol-5-yl)benzamide
CID 162722055
2-(Difluoromethyl)-5-[4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722146
3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide
CID 162722157
3-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]benzamide
CID 162722193
3-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]benzoic acid
CID 162722265
1-[3-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]ethanone
CID 162722285

Frequently Asked Questions

What is the IUPAC name of [3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone (CID 162722453) is [3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)c(F)c3)n2)c1)N1CCOCC1.
What is the InChIKey of [3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is ACBDYRHDGLEULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N7O3/c23-17-10-13(4-5-16(17)20-27-28-21(35-20)18(24)25)12-32-29-19(26-30-32)14-2-1-3-15(11-14)22(33)31-6-8-34-9-7-31/h1-5,10-11,18H,6-9,12H2.
What are the key properties of [3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone?
[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 485.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 162722453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).