1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol

C18H24FN3O2 — CID 111564899

IUPAC1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol
SMILESCc1cc(CN2CCN(CC(O)c3ccc(F)cc3C)CC2)no1
InChIInChI=1S/C18H24FN3O2/c1-13-9-15(19)3-4-17(13)18(23)12-22-7-5-21(6-8-22)11-16-10-14(2)24-20-16/h3-4,9-10,18,23H,5-8,11-12H2,1-2H3
InChIKeyHQJYRSIAIVZTTL-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.28
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol

1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 111564899) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol
PubChem CID111564899
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol
SMILESCc1cc(CN2CCN(CC(O)c3ccc(F)cc3C)CC2)no1
InChIInChI=1S/C18H24FN3O2/c1-13-9-15(19)3-4-17(13)18(23)12-22-7-5-21(6-8-22)11-16-10-14(2)24-20-16/h3-4,9-10,18,23H,5-8,11-12H2,1-2H3
InChIKeyHQJYRSIAIVZTTL-UHFFFAOYSA-N
XLogP2.28
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol
CID 111476430
1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol
CID 111565154
2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565203
N-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide
CID 111564930
1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78827755
(2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
CID 94767954
3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 172891629
(4-fluorophenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 110423049
1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol
CID 111565070
1-(4-fluoro-2-methylphenyl)-2-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
CID 154757470
1-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
CID 110903106
2-(4-fluorophenyl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 110423065

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol (CID 111564899) is 1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol is Cc1cc(CN2CCN(CC(O)c3ccc(F)cc3C)CC2)no1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is HQJYRSIAIVZTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-13-9-15(19)3-4-17(13)18(23)12-22-7-5-21(6-8-22)11-16-10-14(2)24-20-16/h3-4,9-10,18,23H,5-8,11-12H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol?
1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 333.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 111564899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).