[4-[hydroxy(oxido)amino]phenyl] 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate

C21H17FN3O5- — CID 153062447

IUPAC[4-[hydroxy(oxido)amino]phenyl] 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate
SMILESO=C(Oc1ccc(N([O-])O)cc1)N1CC(Oc2ccc(-c3ccccc3F)cn2)C1
InChIInChI=1S/C21H17FN3O5/c22-19-4-2-1-3-18(19)14-5-10-20(23-11-14)29-17-12-24(13-17)21(26)30-16-8-6-15(7-9-16)25(27)28/h1-11,17,27H,12-13H2/q-1
InChIKeyGACGFMYZALLMQS-UHFFFAOYSA-N
MW410.38 g/mol
LogP3.84
Rot. Bonds5

About [4-[hydroxy(oxido)amino]phenyl] 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate

[4-[hydroxy(oxido)amino]phenyl] 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate (PubChem CID 153062447) has the molecular formula C21H17FN3O5- and a molecular weight of 410.38 g/mol. Its IUPAC name is [4-[hydroxy(oxido)amino]phenyl] 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate.

Molecular Properties

Compound Name[4-[hydroxy(oxido)amino]phenyl] 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate
PubChem CID153062447
Molecular FormulaC21H17FN3O5-
Molecular Weight410.38 g/mol
Exact Mass410.12
IUPAC Name[4-[hydroxy(oxido)amino]phenyl] 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate
SMILESO=C(Oc1ccc(N([O-])O)cc1)N1CC(Oc2ccc(-c3ccccc3F)cn2)C1
InChIInChI=1S/C21H17FN3O5/c22-19-4-2-1-3-18(19)14-5-10-20(23-11-14)29-17-12-24(13-17)21(26)30-16-8-6-15(7-9-16)25(27)28/h1-11,17,27H,12-13H2/q-1
InChIKeyGACGFMYZALLMQS-UHFFFAOYSA-N
XLogP3.84
TPSA98.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

pyridazin-3-yl 3-[[5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate
CID 123738986
1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone;(4-nitrophenyl) 3-[(5-bromo-2-pyridinyl)oxy]azetidine-1-carboxylate
CID 157166501
2-(4-chlorophenoxy)-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122248347
1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122248358
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone
CID 122248288
2-(2-chlorophenyl)-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122248418
1-[3-[[5-[2-(dimethylamino)-N-ethenylanilino]-2-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 167056147
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone
CID 122248298
4-chloro-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122248284
3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide
CID 122248522
3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 126471087
3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-fluorophenyl)methyl]azetidine-1-carboxamide
CID 122248512

Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy(oxido)amino]phenyl] 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate?
The IUPAC name of [4-[hydroxy(oxido)amino]phenyl] 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate (CID 153062447) is [4-[hydroxy(oxido)amino]phenyl] 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate.
What is the SMILES notation for [4-[hydroxy(oxido)amino]phenyl] 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate?
The canonical SMILES for [4-[hydroxy(oxido)amino]phenyl] 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate is O=C(Oc1ccc(N([O-])O)cc1)N1CC(Oc2ccc(-c3ccccc3F)cn2)C1.
What is the InChIKey of [4-[hydroxy(oxido)amino]phenyl] 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate?
The InChIKey is GACGFMYZALLMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN3O5/c22-19-4-2-1-3-18(19)14-5-10-20(23-11-14)29-17-12-24(13-17)21(26)30-16-8-6-15(7-9-16)25(27)28/h1-11,17,27H,12-13H2/q-1.
What are the key properties of [4-[hydroxy(oxido)amino]phenyl] 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate?
[4-[hydroxy(oxido)amino]phenyl] 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate has a molecular weight of 410.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy(oxido)amino]phenyl] 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate is sourced from PubChem (CID 153062447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).