5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole

C14H16ClN3O2 — CID 63025608

IUPAC5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESClc1ccc(OCc2nc(C3CCCNC3)no2)cc1
InChIInChI=1S/C14H16ClN3O2/c15-11-3-5-12(6-4-11)19-9-13-17-14(18-20-13)10-2-1-7-16-8-10/h3-6,10,16H,1-2,7-9H2
InChIKeyJGTDHBIAAHOCRR-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.77
Rot. Bonds4

About 5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole

5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 63025608) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID63025608
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESClc1ccc(OCc2nc(C3CCCNC3)no2)cc1
InChIInChI=1S/C14H16ClN3O2/c15-11-3-5-12(6-4-11)19-9-13-17-14(18-20-13)10-2-1-7-16-8-10/h3-6,10,16H,1-2,7-9H2
InChIKeyJGTDHBIAAHOCRR-UHFFFAOYSA-N
XLogP2.77
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole (CID 63025608) is 5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole is Clc1ccc(OCc2nc(C3CCCNC3)no2)cc1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is JGTDHBIAAHOCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-11-3-5-12(6-4-11)19-9-13-17-14(18-20-13)10-2-1-7-16-8-10/h3-6,10,16H,1-2,7-9H2.
What are the key properties of 5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole?
5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 293.75 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63025608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).