2-(4-fluorophenoxy)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone;formic acid

C17H20FN3O5 — CID 171688308

IUPAC2-(4-fluorophenoxy)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone;formic acid
SMILESCc1cnc(C2CN(C(=O)COc3ccc(F)cc3)CCO2)[nH]1.O=CO
InChIInChI=1S/C16H18FN3O3.CH2O2/c1-11-8-18-16(19-11)14-9-20(6-7-22-14)15(21)10-23-13-4-2-12(17)3-5-13;2-1-3/h2-5,8,14H,6-7,9-10H2,1H3,(H,18,19);1H,(H,2,3)
InChIKeyBZZDYYZLGAIQSY-UHFFFAOYSA-N
MW365.36 g/mol
LogP1.54
Rot. Bonds4

About 2-(4-fluorophenoxy)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone;formic acid

2-(4-fluorophenoxy)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone;formic acid (PubChem CID 171688308) has the molecular formula C17H20FN3O5 and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone;formic acid.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone;formic acid
PubChem CID171688308
Molecular FormulaC17H20FN3O5
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name2-(4-fluorophenoxy)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone;formic acid
SMILESCc1cnc(C2CN(C(=O)COc3ccc(F)cc3)CCO2)[nH]1.O=CO
InChIInChI=1S/C16H18FN3O3.CH2O2/c1-11-8-18-16(19-11)14-9-20(6-7-22-14)15(21)10-23-13-4-2-12(17)3-5-13;2-1-3/h2-5,8,14H,6-7,9-10H2,1H3,(H,18,19);1H,(H,2,3)
InChIKeyBZZDYYZLGAIQSY-UHFFFAOYSA-N
XLogP1.54
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 124978039
2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 73439823
1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
CID 110116012
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
CID 125012935
2-(4-fluorophenoxy)-1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 71928752
2-(4-fluorophenoxy)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663787
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 124953608
1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 124972553
2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 125012194
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 124995684
1-[2-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 125013405

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone;formic acid?
The IUPAC name of 2-(4-fluorophenoxy)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone;formic acid (CID 171688308) is 2-(4-fluorophenoxy)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone;formic acid.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone;formic acid?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone;formic acid is Cc1cnc(C2CN(C(=O)COc3ccc(F)cc3)CCO2)[nH]1.O=CO.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone;formic acid?
The InChIKey is BZZDYYZLGAIQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3.CH2O2/c1-11-8-18-16(19-11)14-9-20(6-7-22-14)15(21)10-23-13-4-2-12(17)3-5-13;2-1-3/h2-5,8,14H,6-7,9-10H2,1H3,(H,18,19);1H,(H,2,3).
What are the key properties of 2-(4-fluorophenoxy)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone;formic acid?
2-(4-fluorophenoxy)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone;formic acid has a molecular weight of 365.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone;formic acid is sourced from PubChem (CID 171688308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).