5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride

C16H21ClFN3O2 — CID 146050584

IUPAC5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCOCCC1(c2noc(-c3ccc(F)cc3)n2)CCNCC1.Cl
InChIInChI=1S/C16H20FN3O2.ClH/c1-21-11-8-16(6-9-18-10-7-16)15-19-14(22-20-15)12-2-4-13(17)5-3-12;/h2-5,18H,6-11H2,1H3;1H
InChIKeyZKWVJWOPPRVSKV-UHFFFAOYSA-N
MW341.81 g/mol
LogP2.96
Rot. Bonds5

About 5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride

5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 146050584) has the molecular formula C16H21ClFN3O2 and a molecular weight of 341.81 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
PubChem CID146050584
Molecular FormulaC16H21ClFN3O2
Molecular Weight341.81 g/mol
Exact Mass341.13
IUPAC Name5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCOCCC1(c2noc(-c3ccc(F)cc3)n2)CCNCC1.Cl
InChIInChI=1S/C16H20FN3O2.ClH/c1-21-11-8-16(6-9-18-10-7-16)15-19-14(22-20-15)12-2-4-13(17)5-3-12;/h2-5,18H,6-11H2,1H3;1H
InChIKeyZKWVJWOPPRVSKV-UHFFFAOYSA-N
XLogP2.96
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
3-[(4-fluorophenoxy)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120842824
3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120893709
1-[(2S)-2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]-2-methoxyethanone
CID 164637820
3-[(4-fluorophenoxy)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120842825
1-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856441
5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 139035121
5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 166288475
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
5-[4-(2-methoxyethyl)piperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 138039510

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride (CID 146050584) is 5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride is COCCC1(c2noc(-c3ccc(F)cc3)n2)CCNCC1.Cl.
What is the InChIKey of 5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is ZKWVJWOPPRVSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2.ClH/c1-21-11-8-16(6-9-18-10-7-16)15-19-14(22-20-15)12-2-4-13(17)5-3-12;/h2-5,18H,6-11H2,1H3;1H.
What are the key properties of 5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 341.81 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 146050584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).