5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole

C17H22FN3O — CID 94651558

IUPAC5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN([C@@H](C)c3cccc(F)c3)CC2)on1
InChIInChI=1S/C17H22FN3O/c1-13-10-17(22-19-13)12-20-6-8-21(9-7-20)14(2)15-4-3-5-16(18)11-15/h3-5,10-11,14H,6-9,12H2,1-2H3/t14-/m0/s1
InChIKeySLZCFUJWXPGQLX-AWEZNQCLSA-N
MW303.38 g/mol
LogP3.00
Rot. Bonds4

About 5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole

5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole (PubChem CID 94651558) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
PubChem CID94651558
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN([C@@H](C)c3cccc(F)c3)CC2)on1
InChIInChI=1S/C17H22FN3O/c1-13-10-17(22-19-13)12-20-6-8-21(9-7-20)14(2)15-4-3-5-16(18)11-15/h3-5,10-11,14H,6-9,12H2,1-2H3/t14-/m0/s1
InChIKeySLZCFUJWXPGQLX-AWEZNQCLSA-N
XLogP3.00
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol
CID 110900456
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CID 29435317
5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 95313681
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
3-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]propanoic acid
CID 65053931
2-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 97240829
6-[(1S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 34925494
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 78899257
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 166605462
(2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
CID 95309121
(2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94032058
(2S)-N-(ethylcarbamoyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
CID 30152167

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole (CID 94651558) is 5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole is Cc1cc(CN2CCN([C@@H](C)c3cccc(F)c3)CC2)on1.
What is the InChIKey of 5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is SLZCFUJWXPGQLX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-13-10-17(22-19-13)12-20-6-8-21(9-7-20)14(2)15-4-3-5-16(18)11-15/h3-5,10-11,14H,6-9,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 303.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 94651558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).