[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]methanone

C22H22F2N4O4 — CID 56598129

IUPAC[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]methanone
SMILESCN(C)Cc1ccc(OC2CN(C(=O)c3nnc(-c4ccc(OC(F)F)cc4)o3)C2)cc1
InChIInChI=1S/C22H22F2N4O4/c1-27(2)11-14-3-7-16(8-4-14)30-18-12-28(13-18)21(29)20-26-25-19(32-20)15-5-9-17(10-6-15)31-22(23)24/h3-10,18,22H,11-13H2,1-2H3
InChIKeyHJPIKKSASKOXOH-UHFFFAOYSA-N
MW444.44 g/mol
LogP3.30
Rot. Bonds8

About [5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]methanone

[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]methanone (PubChem CID 56598129) has the molecular formula C22H22F2N4O4 and a molecular weight of 444.44 g/mol. Its IUPAC name is [5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]methanone
PubChem CID56598129
Molecular FormulaC22H22F2N4O4
Molecular Weight444.44 g/mol
Exact Mass444.16
IUPAC Name[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]methanone
SMILESCN(C)Cc1ccc(OC2CN(C(=O)c3nnc(-c4ccc(OC(F)F)cc4)o3)C2)cc1
InChIInChI=1S/C22H22F2N4O4/c1-27(2)11-14-3-7-16(8-4-14)30-18-12-28(13-18)21(29)20-26-25-19(32-20)15-5-9-17(10-6-15)31-22(23)24/h3-10,18,22H,11-13H2,1-2H3
InChIKeyHJPIKKSASKOXOH-UHFFFAOYSA-N
XLogP3.30
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methanone
CID 56598127
[3-[3-(difluoromethoxy)-4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 66655779
(3-phenoxyazetidin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 141329300
[3-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 127030070
4-[1-[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole-2-carbonyl]azetidin-3-yl]oxy-2-methoxybenzaldehyde
CID 89389660
[3-[4-[[butyl(2-hydroxyethyl)amino]methyl]-2-methylphenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 148608751
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methyl]phenoxy]azetidin-1-yl]methanone
CID 71512275
2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 78765982
2-[4-(difluoromethoxy)phenyl]-5-[4-[(4-methoxyphenoxy)methyl]phenyl]-1,3,4-oxadiazole
CID 19550341
[4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone
CID 70788889
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide
CID 86879228
2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 87000610

Frequently Asked Questions

What is the IUPAC name of [5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]methanone?
The IUPAC name of [5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]methanone (CID 56598129) is [5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]methanone.
What is the SMILES notation for [5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]methanone?
The canonical SMILES for [5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]methanone is CN(C)Cc1ccc(OC2CN(C(=O)c3nnc(-c4ccc(OC(F)F)cc4)o3)C2)cc1.
What is the InChIKey of [5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]methanone?
The InChIKey is HJPIKKSASKOXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O4/c1-27(2)11-14-3-7-16(8-4-14)30-18-12-28(13-18)21(29)20-26-25-19(32-20)15-5-9-17(10-6-15)31-22(23)24/h3-10,18,22H,11-13H2,1-2H3.
What are the key properties of [5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]methanone?
[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]methanone has a molecular weight of 444.44 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 56598129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).