3-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-ol

C20H23N3O2 — CID 150026820

IUPAC3-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-ol
SMILESOCCCN1CCC(c2nc(-c3ccc4ccccc4c3)no2)CC1
InChIInChI=1S/C20H23N3O2/c24-13-3-10-23-11-8-16(9-12-23)20-21-19(22-25-20)18-7-6-15-4-1-2-5-17(15)14-18/h1-2,4-7,14,16,24H,3,8-13H2
InChIKeyDGKNPCPCJDLWQR-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.45
Rot. Bonds5

About 3-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-ol

3-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-ol (PubChem CID 150026820) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-ol
PubChem CID150026820
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-ol
SMILESOCCCN1CCC(c2nc(-c3ccc4ccccc4c3)no2)CC1
InChIInChI=1S/C20H23N3O2/c24-13-3-10-23-11-8-16(9-12-23)20-21-19(22-25-20)18-7-6-15-4-1-2-5-17(15)14-18/h1-2,4-7,14,16,24H,3,8-13H2
InChIKeyDGKNPCPCJDLWQR-UHFFFAOYSA-N
XLogP3.45
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-ol (CID 150026820) is 3-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-ol is OCCCN1CCC(c2nc(-c3ccc4ccccc4c3)no2)CC1.
What is the InChIKey of 3-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-ol?
The InChIKey is DGKNPCPCJDLWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-13-3-10-23-11-8-16(9-12-23)20-21-19(22-25-20)18-7-6-15-4-1-2-5-17(15)14-18/h1-2,4-7,14,16,24H,3,8-13H2.
What are the key properties of 3-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-ol?
3-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-ol has a molecular weight of 337.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 150026820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).