tert-butyl 2-[2-fluoro-5-(5-methylpyridazin-3-yl)oxyphenyl]morpholine-4-carboxylate

C20H24FN3O4 — CID 171653170

IUPACtert-butyl 2-[2-fluoro-5-(5-methylpyridazin-3-yl)oxyphenyl]morpholine-4-carboxylate
SMILESCc1cnnc(Oc2ccc(F)c(C3CN(C(=O)OC(C)(C)C)CCO3)c2)c1
InChIInChI=1S/C20H24FN3O4/c1-13-9-18(23-22-11-13)27-14-5-6-16(21)15(10-14)17-12-24(7-8-26-17)19(25)28-20(2,3)4/h5-6,9-11,17H,7-8,12H2,1-4H3
InChIKeyYSJZEZNVVQLCTK-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.02
Rot. Bonds3

About tert-butyl 2-[2-fluoro-5-(5-methylpyridazin-3-yl)oxyphenyl]morpholine-4-carboxylate

tert-butyl 2-[2-fluoro-5-(5-methylpyridazin-3-yl)oxyphenyl]morpholine-4-carboxylate (PubChem CID 171653170) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is tert-butyl 2-[2-fluoro-5-(5-methylpyridazin-3-yl)oxyphenyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-fluoro-5-(5-methylpyridazin-3-yl)oxyphenyl]morpholine-4-carboxylate
PubChem CID171653170
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Nametert-butyl 2-[2-fluoro-5-(5-methylpyridazin-3-yl)oxyphenyl]morpholine-4-carboxylate
SMILESCc1cnnc(Oc2ccc(F)c(C3CN(C(=O)OC(C)(C)C)CCO3)c2)c1
InChIInChI=1S/C20H24FN3O4/c1-13-9-18(23-22-11-13)27-14-5-6-16(21)15(10-14)17-12-24(7-8-26-17)19(25)28-20(2,3)4/h5-6,9-11,17H,7-8,12H2,1-4H3
InChIKeyYSJZEZNVVQLCTK-UHFFFAOYSA-N
XLogP4.02
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-(pyridazin-3-yloxymethyl)oxazolidin-2-one
CID 497369
2-(2-Fluorophenoxy)-1-(3-(pyridazin-3-yloxy)piperidin-1-yl)ethanone
CID 91627666
N-(p-fluorophenyl)methyl-(S)-3-(3-pyridazinyloxy)-1-piperidinecarboxamide
CID 100640493
2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 129375304
3-phenyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]propan-1-one
CID 100638751
tert-butyl 4-[6-[(Z)-1-(4-fluorophenyl)ethylideneamino]oxypyridazin-3-yl]oxypiperidine-1-carboxylate
CID 44250662
4-[6-Butyl-5-(4-cyclohexyloxy-phenyl)-pyridazin-3-yloxymethyl]-4-fluoro-piperidine-1-carboxylic acid tert-butyl ester
CID 67374462
tert-butyl (3R,4S)-3-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxy-4-(difluoromethyl)piperidine-1-carboxylate
CID 67378705
Tert-butyl 3-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxy-4-(difluoromethyl)piperidine-1-carboxylate
CID 67378706
Tert-butyl 4-[6-[1-(4-fluorophenyl)ethylideneamino]oxypyridazin-3-yl]oxypiperidine-1-carboxylate
CID 74974845
(+/-)-trans-3-[6-Butyl-5-(4-cyclohexyloxy-phenyl)-pyridazin-3-yloxy]-4-difluoromethyl-piperidine-1-carboxylic acid tert-butyl ester
CID 86657812
Pyridazin-3-yl 3-[[5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate
CID 123738986

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-fluoro-5-(5-methylpyridazin-3-yl)oxyphenyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[2-fluoro-5-(5-methylpyridazin-3-yl)oxyphenyl]morpholine-4-carboxylate (CID 171653170) is tert-butyl 2-[2-fluoro-5-(5-methylpyridazin-3-yl)oxyphenyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-fluoro-5-(5-methylpyridazin-3-yl)oxyphenyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[2-fluoro-5-(5-methylpyridazin-3-yl)oxyphenyl]morpholine-4-carboxylate is Cc1cnnc(Oc2ccc(F)c(C3CN(C(=O)OC(C)(C)C)CCO3)c2)c1.
What is the InChIKey of tert-butyl 2-[2-fluoro-5-(5-methylpyridazin-3-yl)oxyphenyl]morpholine-4-carboxylate?
The InChIKey is YSJZEZNVVQLCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4/c1-13-9-18(23-22-11-13)27-14-5-6-16(21)15(10-14)17-12-24(7-8-26-17)19(25)28-20(2,3)4/h5-6,9-11,17H,7-8,12H2,1-4H3.
What are the key properties of tert-butyl 2-[2-fluoro-5-(5-methylpyridazin-3-yl)oxyphenyl]morpholine-4-carboxylate?
tert-butyl 2-[2-fluoro-5-(5-methylpyridazin-3-yl)oxyphenyl]morpholine-4-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-fluoro-5-(5-methylpyridazin-3-yl)oxyphenyl]morpholine-4-carboxylate is sourced from PubChem (CID 171653170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).