5-(3-phenoxypropyl)-3-pyridin-4-yl-1,2,4-oxadiazole

C16H15N3O2 — CID 2195245

IUPAC5-(3-phenoxypropyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(OCCCc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C16H15N3O2/c1-2-5-14(6-3-1)20-12-4-7-15-18-16(19-21-15)13-8-10-17-11-9-13/h1-3,5-6,8-11H,4,7,12H2
InChIKeyQHULAWVSDWNAPE-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.14
Rot. Bonds6

About 5-(3-phenoxypropyl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-(3-phenoxypropyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 2195245) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-(3-phenoxypropyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-phenoxypropyl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID2195245
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name5-(3-phenoxypropyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(OCCCc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C16H15N3O2/c1-2-5-14(6-3-1)20-12-4-7-15-18-16(19-21-15)13-8-10-17-11-9-13/h1-3,5-6,8-11H,4,7,12H2
InChIKeyQHULAWVSDWNAPE-UHFFFAOYSA-N
XLogP3.14
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-phenoxypropyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-phenoxypropyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 2195245) is 5-(3-phenoxypropyl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-phenoxypropyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-phenoxypropyl)-3-pyridin-4-yl-1,2,4-oxadiazole is c1ccc(OCCCc2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 5-(3-phenoxypropyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is QHULAWVSDWNAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-5-14(6-3-1)20-12-4-7-15-18-16(19-21-15)13-8-10-17-11-9-13/h1-3,5-6,8-11H,4,7,12H2.
What are the key properties of 5-(3-phenoxypropyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(3-phenoxypropyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 281.32 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenoxypropyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2195245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).