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

C17H20FN3O3 — CID 132776944

IUPAC[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCOC(CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H20FN3O3/c1-20-7-6-19-15(20)16(23)21-8-9-24-17(11-21,12-22)10-13-2-4-14(18)5-3-13/h2-7,22H,8-12H2,1H3
InChIKeyUQCGYFOUWYUZPE-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.01
Rot. Bonds4

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

[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 132776944) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID132776944
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCOC(CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H20FN3O3/c1-20-7-6-19-15(20)16(23)21-8-9-24-17(11-21,12-22)10-13-2-4-14(18)5-3-13/h2-7,22H,8-12H2,1H3
InChIKeyUQCGYFOUWYUZPE-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

1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 171699942
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770875
[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone
CID 132776943
3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one
CID 132765032
(1-methylimidazol-2-yl)-(4-methylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)methanone
CID 171318438
[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone
CID 132764631
[4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 171318381
[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 132649107
(1-methylimidazol-2-yl)-[4-(5-methyl-1,3-thiazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone
CID 171318293
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone
CID 171318304
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 132770482
(2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide
CID 92592685

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone (CID 132776944) is [2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)N1CCOC(CO)(Cc2ccc(F)cc2)C1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is UQCGYFOUWYUZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-20-7-6-19-15(20)16(23)21-8-9-24-17(11-21,12-22)10-13-2-4-14(18)5-3-13/h2-7,22H,8-12H2,1H3.
What are the key properties of [2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone?
[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-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-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 132776944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).