2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone

C18H21FN2O3 — CID 75392995

IUPAC2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1coc(-c2ccc(F)cc2)n1)N1CCCCC1CCO
InChIInChI=1S/C18H21FN2O3/c19-14-6-4-13(5-7-14)18-20-15(12-24-18)11-17(23)21-9-2-1-3-16(21)8-10-22/h4-7,12,16,22H,1-3,8-11H2
InChIKeyFMAHXYNQRMRSSN-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.79
Rot. Bonds5

About 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone

2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 75392995) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID75392995
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1coc(-c2ccc(F)cc2)n1)N1CCCCC1CCO
InChIInChI=1S/C18H21FN2O3/c19-14-6-4-13(5-7-14)18-20-15(12-24-18)11-17(23)21-9-2-1-3-16(21)8-10-22/h4-7,12,16,22H,1-3,8-11H2
InChIKeyFMAHXYNQRMRSSN-UHFFFAOYSA-N
XLogP2.79
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119365486
3-[(2S)-1-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124699674
2-[(2S)-1-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-2-yl]acetamide
CID 95160386
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanone
CID 124702286
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 119411851
3-(4-fluorophenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 60743171
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 120818074
(2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 124704000
(E)-3-(4-fluorophenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 60741700
1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81496163
[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 72914202
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 109400397

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone (CID 75392995) is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone is O=C(Cc1coc(-c2ccc(F)cc2)n1)N1CCCCC1CCO.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is FMAHXYNQRMRSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c19-14-6-4-13(5-7-14)18-20-15(12-24-18)11-17(23)21-9-2-1-3-16(21)8-10-22/h4-7,12,16,22H,1-3,8-11H2.
What are the key properties of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 332.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 75392995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).