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

C14H17N3O2 — CID 135040543

IUPAC2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(N3CCCCC3)o2)cc1
InChIInChI=1S/C14H17N3O2/c1-18-12-7-5-11(6-8-12)13-15-16-14(19-13)17-9-3-2-4-10-17/h5-8H,2-4,9-10H2,1H3
InChIKeyVHMNCKRMBQXZPR-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.74
Rot. Bonds3

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

2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole (PubChem CID 135040543) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole
PubChem CID135040543
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(N3CCCCC3)o2)cc1
InChIInChI=1S/C14H17N3O2/c1-18-12-7-5-11(6-8-12)13-15-16-14(19-13)17-9-3-2-4-10-17/h5-8H,2-4,9-10H2,1H3
InChIKeyVHMNCKRMBQXZPR-UHFFFAOYSA-N
XLogP2.74
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole (CID 135040543) is 2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole is COc1ccc(-c2nnc(N3CCCCC3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole?
The InChIKey is VHMNCKRMBQXZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-12-7-5-11(6-8-12)13-15-16-14(19-13)17-9-3-2-4-10-17/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole is sourced from PubChem (CID 135040543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).