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

C22H19F2N7O3 — CID 162721913

IUPAC[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)c1)N1CCOCC1
InChIInChI=1S/C22H19F2N7O3/c23-18(24)21-27-26-20(34-21)15-6-4-14(5-7-15)13-31-28-19(25-29-31)16-2-1-3-17(12-16)22(32)30-8-10-33-11-9-30/h1-7,12,18H,8-11,13H2
InChIKeyUUBMKHQRBTYLDD-UHFFFAOYSA-N
MW467.44 g/mol
LogP2.85
Rot. Bonds6

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

[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 162721913) has the molecular formula C22H19F2N7O3 and a molecular weight of 467.44 g/mol. Its IUPAC name is [3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID162721913
Molecular FormulaC22H19F2N7O3
Molecular Weight467.44 g/mol
Exact Mass467.15
IUPAC Name[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)c1)N1CCOCC1
InChIInChI=1S/C22H19F2N7O3/c23-18(24)21-27-26-20(34-21)15-6-4-14(5-7-15)13-31-28-19(25-29-31)16-2-1-3-17(12-16)22(32)30-8-10-33-11-9-30/h1-7,12,18H,8-11,13H2
InChIKeyUUBMKHQRBTYLDD-UHFFFAOYSA-N
XLogP2.85
TPSA112.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
7-(2-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-2H-tetrazol-5-yl)-2-methyl-3,4-dihydroisoquinolin-1 (2H)-one
CID 162722353

Frequently Asked Questions

What is the IUPAC name of [3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone (CID 162721913) is [3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]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]phenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)c1)N1CCOCC1.
What is the InChIKey of [3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is UUBMKHQRBTYLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N7O3/c23-18(24)21-27-26-20(34-21)15-6-4-14(5-7-15)13-31-28-19(25-29-31)16-2-1-3-17(12-16)22(32)30-8-10-33-11-9-30/h1-7,12,18H,8-11,13H2.
What are the key properties of [3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone?
[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 467.44 g/mol, XLogP of 2.85, 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]phenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 162721913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).