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

C14H11N3O2 — CID 2274654

IUPAC5-(phenoxymethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(OCc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C14H11N3O2/c1-2-4-12(5-3-1)18-10-13-16-14(17-19-13)11-6-8-15-9-7-11/h1-9H,10H2
InChIKeyJBEDQNGRKTVQGS-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.71
Rot. Bonds4

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

5-(phenoxymethyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 2274654) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-(phenoxymethyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(phenoxymethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID2274654
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name5-(phenoxymethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(OCc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C14H11N3O2/c1-2-4-12(5-3-1)18-10-13-16-14(17-19-13)11-6-8-15-9-7-11/h1-9H,10H2
InChIKeyJBEDQNGRKTVQGS-UHFFFAOYSA-N
XLogP2.71
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(phenoxymethyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 2274654) is 5-(phenoxymethyl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(phenoxymethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(phenoxymethyl)-3-pyridin-4-yl-1,2,4-oxadiazole is c1ccc(OCc2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 5-(phenoxymethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is JBEDQNGRKTVQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-2-4-12(5-3-1)18-10-13-16-14(17-19-13)11-6-8-15-9-7-11/h1-9H,10H2.
What are the key properties of 5-(phenoxymethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(phenoxymethyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 253.26 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2274654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).