[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone

C17H20FN3O3 — CID 132776943

IUPAC[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCOC(CO)(Cc3cccc(F)c3)C2)c1
InChIInChI=1S/C17H20FN3O3/c1-20-9-15(19-12-20)16(23)21-5-6-24-17(10-21,11-22)8-13-3-2-4-14(18)7-13/h2-4,7,9,12,22H,5-6,8,10-11H2,1H3
InChIKeyYXWMVSDYYGCUKC-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.01
Rot. Bonds4

About [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone

[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 132776943) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID132776943
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCOC(CO)(Cc3cccc(F)c3)C2)c1
InChIInChI=1S/C17H20FN3O3/c1-20-9-15(19-12-20)16(23)21-5-6-24-17(10-21,11-22)8-13-3-2-4-14(18)7-13/h2-4,7,9,12,22H,5-6,8,10-11H2,1H3
InChIKeyYXWMVSDYYGCUKC-UHFFFAOYSA-N
XLogP1.01
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-fluorophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]morpholin-2-yl]methanol
CID 155992748
[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone
CID 132764631
[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
CID 132776944
[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 132649107
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone
CID 132764967
[4-[(3-ethylimidazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 132776956
3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one
CID 132765032
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770875
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 132770482
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 171699942
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 110159351
(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 124614411

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone (CID 132776943) is [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone is Cn1cnc(C(=O)N2CCOC(CO)(Cc3cccc(F)c3)C2)c1.
What is the InChIKey of [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is YXWMVSDYYGCUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-20-9-15(19-12-20)16(23)21-5-6-24-17(10-21,11-22)8-13-3-2-4-14(18)7-13/h2-4,7,9,12,22H,5-6,8,10-11H2,1H3.
What are the key properties of [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone?
[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 333.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 132776943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).