2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone

C18H21FN2O3 — CID 110633136

IUPAC2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCc1oc(-c2ccc(F)cc2)nc1CC(=O)N1CCCC(CO)C1
InChIInChI=1S/C18H21FN2O3/c1-12-16(9-17(23)21-8-2-3-13(10-21)11-22)20-18(24-12)14-4-6-15(19)7-5-14/h4-7,13,22H,2-3,8-11H2,1H3
InChIKeyFIVLUICQTFYSOT-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.56
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone

2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 110633136) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID110633136
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCc1oc(-c2ccc(F)cc2)nc1CC(=O)N1CCCC(CO)C1
InChIInChI=1S/C18H21FN2O3/c1-12-16(9-17(23)21-8-2-3-13(10-21)11-22)20-18(24-12)14-4-6-15(19)7-5-14/h4-7,13,22H,2-3,8-11H2,1H3
InChIKeyFIVLUICQTFYSOT-UHFFFAOYSA-N
XLogP2.56
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110633137
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 110610280
1-[3-(ethoxymethyl)piperidin-1-yl]-2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110610382
1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167546
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110371744
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 110416327
1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119397285
[1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 24792954
1-(5,5-dioxo-1,5,2-oxathiazepan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 155959716
2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-1-pyrrolidin-1-ylethanone
CID 110407009
1-(4-methyl-1,4-diazepan-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 78839371

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone (CID 110633136) is 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone is Cc1oc(-c2ccc(F)cc2)nc1CC(=O)N1CCCC(CO)C1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is FIVLUICQTFYSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-12-16(9-17(23)21-8-2-3-13(10-21)11-22)20-18(24-12)14-4-6-15(19)7-5-14/h4-7,13,22H,2-3,8-11H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 332.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110633136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).