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

C23H24F2N4O5 — CID 66655779

IUPAC[3-[3-(difluoromethoxy)-4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
SMILESCOc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN(C)C)c(OC(F)F)c4)C3)o2)cc1
InChIInChI=1S/C23H24F2N4O5/c1-28(2)11-15-6-9-17(10-19(15)33-23(24)25)32-18-12-29(13-18)22(30)21-27-26-20(34-21)14-4-7-16(31-3)8-5-14/h4-10,18,23H,11-13H2,1-3H3
InChIKeyKWLRCSKXURANGV-UHFFFAOYSA-N
MW474.46 g/mol
LogP3.31
Rot. Bonds9

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

[3-[3-(difluoromethoxy)-4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 66655779) has the molecular formula C23H24F2N4O5 and a molecular weight of 474.46 g/mol. Its IUPAC name is [3-[3-(difluoromethoxy)-4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

Compound Name[3-[3-(difluoromethoxy)-4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
PubChem CID66655779
Molecular FormulaC23H24F2N4O5
Molecular Weight474.46 g/mol
Exact Mass474.17
IUPAC Name[3-[3-(difluoromethoxy)-4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
SMILESCOc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN(C)C)c(OC(F)F)c4)C3)o2)cc1
InChIInChI=1S/C23H24F2N4O5/c1-28(2)11-15-6-9-17(10-19(15)33-23(24)25)32-18-12-29(13-18)22(30)21-27-26-20(34-21)14-4-7-16(31-3)8-5-14/h4-10,18,23H,11-13H2,1-3H3
InChIKeyKWLRCSKXURANGV-UHFFFAOYSA-N
XLogP3.31
TPSA90.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]methanone
CID 56598129
4-[1-[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole-2-carbonyl]azetidin-3-yl]oxy-2-methoxybenzaldehyde
CID 89389660
[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methanone
CID 56598127
[3-[4-[[butyl(2-hydroxyethyl)amino]methyl]-2-methylphenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 148608751
[3-[3-methoxy-4-(2-oxa-5-azaspiro[3.4]octan-5-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 71226289
(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
[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
N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392032
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 110390931
1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 99963493
2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 17458845

Frequently Asked Questions

What is the IUPAC name of [3-[3-(difluoromethoxy)-4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone?
The IUPAC name of [3-[3-(difluoromethoxy)-4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone (CID 66655779) is [3-[3-(difluoromethoxy)-4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone.
What is the SMILES notation for [3-[3-(difluoromethoxy)-4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone?
The canonical SMILES for [3-[3-(difluoromethoxy)-4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone is COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN(C)C)c(OC(F)F)c4)C3)o2)cc1.
What is the InChIKey of [3-[3-(difluoromethoxy)-4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone?
The InChIKey is KWLRCSKXURANGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O5/c1-28(2)11-15-6-9-17(10-19(15)33-23(24)25)32-18-12-29(13-18)22(30)21-27-26-20(34-21)14-4-7-16(31-3)8-5-14/h4-10,18,23H,11-13H2,1-3H3.
What are the key properties of [3-[3-(difluoromethoxy)-4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone?
[3-[3-(difluoromethoxy)-4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 474.46 g/mol, XLogP of 3.31, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(difluoromethoxy)-4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 66655779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).