3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole

C13H13ClFN3O — CID 95733033

IUPAC3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESFc1cc(-c2noc(C3CCNCC3)n2)ccc1Cl
InChIInChI=1S/C13H13ClFN3O/c14-10-2-1-9(7-11(10)15)12-17-13(19-18-12)8-3-5-16-6-4-8/h1-2,7-8,16H,3-6H2
InChIKeyUKOMLZQQUBHWBV-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.00
Rot. Bonds2

About 3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole

3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 95733033) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID95733033
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESFc1cc(-c2noc(C3CCNCC3)n2)ccc1Cl
InChIInChI=1S/C13H13ClFN3O/c14-10-2-1-9(7-11(10)15)12-17-13(19-18-12)8-3-5-16-6-4-8/h1-2,7-8,16H,3-6H2
InChIKeyUKOMLZQQUBHWBV-UHFFFAOYSA-N
XLogP3.00
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-3-methylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 54933319
3-(3,4-difluorophenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917701
3-(4-fluoro-3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 82626483
3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 22248505
3-(4-fluoro-3-methylphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838743
3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165487010
3-(2-chloro-4-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 53417952
3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 53417950
3-(3-chloro-4-fluorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743414
3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 46891023
3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 28805674
3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743582

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole (CID 95733033) is 3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole is Fc1cc(-c2noc(C3CCNCC3)n2)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is UKOMLZQQUBHWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c14-10-2-1-9(7-11(10)15)12-17-13(19-18-12)8-3-5-16-6-4-8/h1-2,7-8,16H,3-6H2.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 281.72 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 95733033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).