5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole

C14H16FN3O — CID 77183129

IUPAC5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCC1CCC(c2noc(-c3ccc(F)cc3)n2)CN1
InChIInChI=1S/C14H16FN3O/c1-9-2-3-11(8-16-9)13-17-14(19-18-13)10-4-6-12(15)7-5-10/h4-7,9,11,16H,2-3,8H2,1H3
InChIKeyQETMGKHWQLWDHT-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.73
Rot. Bonds2

About 5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole

5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole (PubChem CID 77183129) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole
PubChem CID77183129
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCC1CCC(c2noc(-c3ccc(F)cc3)n2)CN1
InChIInChI=1S/C14H16FN3O/c1-9-2-3-11(8-16-9)13-17-14(19-18-13)10-4-6-12(15)7-5-10/h4-7,9,11,16H,2-3,8H2,1H3
InChIKeyQETMGKHWQLWDHT-UHFFFAOYSA-N
XLogP2.73
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-fluoro-2-pyridinyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 77183124
5-(4-fluorophenyl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 84696560
5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 141290235
5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 139035121
3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 84681088
5-(4-methylphenyl)-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939484
5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 79205715
5-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 50835872
5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727838
2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63188328
4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137002863
[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579142

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole (CID 77183129) is 5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole is CC1CCC(c2noc(-c3ccc(F)cc3)n2)CN1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is QETMGKHWQLWDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-2-3-11(8-16-9)13-17-14(19-18-13)10-4-6-12(15)7-5-10/h4-7,9,11,16H,2-3,8H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole?
5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 261.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 77183129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).