1-[(2S)-2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]-2-methoxyethanone

C17H20FN3O3 — CID 164637820

IUPAC1-[(2S)-2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC[C@@]1(C)c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H20FN3O3/c1-17(9-3-4-10-21(17)14(22)11-23-2)16-19-15(24-20-16)12-5-7-13(18)8-6-12/h5-8H,3-4,9-11H2,1-2H3/t17-/m0/s1
InChIKeyKQQJJSZTXPARQP-KRWDZBQOSA-N
MW333.36 g/mol
LogP2.75
Rot. Bonds4

About 1-[(2S)-2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]-2-methoxyethanone

1-[(2S)-2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]-2-methoxyethanone (PubChem CID 164637820) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-[(2S)-2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(2S)-2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]-2-methoxyethanone
PubChem CID164637820
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-[(2S)-2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC[C@@]1(C)c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H20FN3O3/c1-17(9-3-4-10-21(17)14(22)11-23-2)16-19-15(24-20-16)12-5-7-13(18)8-6-12/h5-8H,3-4,9-11H2,1-2H3/t17-/m0/s1
InChIKeyKQQJJSZTXPARQP-KRWDZBQOSA-N
XLogP2.75
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

5-(4-fluorophenyl)-3-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 172908876
1-[5-[4-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853576
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 146050584
1-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856441
1-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851270
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 50828633
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 120861030
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351739
1-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854338
1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 166216352

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(2S)-2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]-2-methoxyethanone (CID 164637820) is 1-[(2S)-2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(2S)-2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(2S)-2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCCC[C@@]1(C)c1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[(2S)-2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]-2-methoxyethanone?
The InChIKey is KQQJJSZTXPARQP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-17(9-3-4-10-21(17)14(22)11-23-2)16-19-15(24-20-16)12-5-7-13(18)8-6-12/h5-8H,3-4,9-11H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]-2-methoxyethanone?
1-[(2S)-2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]-2-methoxyethanone has a molecular weight of 333.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 164637820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).