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

C14H17N3O2 — CID 28805640

IUPAC3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(C3CCNCC3)n2)c1
InChIInChI=1S/C14H17N3O2/c1-18-12-4-2-3-11(9-12)13-16-14(19-17-13)10-5-7-15-8-6-10/h2-4,9-10,15H,5-8H2,1H3
InChIKeyBOYBURKXIDTTSV-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.21
Rot. Bonds3

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

3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 28805640) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID28805640
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(C3CCNCC3)n2)c1
InChIInChI=1S/C14H17N3O2/c1-18-12-4-2-3-11(9-12)13-16-14(19-17-13)10-5-7-15-8-6-10/h2-4,9-10,15H,5-8H2,1H3
InChIKeyBOYBURKXIDTTSV-UHFFFAOYSA-N
XLogP2.21
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole (CID 28805640) is 3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole is COc1cccc(-c2noc(C3CCNCC3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is BOYBURKXIDTTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-12-4-2-3-11(9-12)13-16-14(19-17-13)10-5-7-15-8-6-10/h2-4,9-10,15H,5-8H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 28805640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).