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

C14H11N3O2 — CID 789891

IUPAC5-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C14H11N3O2/c1-18-12-4-2-11(3-5-12)14-16-13(17-19-14)10-6-8-15-9-7-10/h2-9H,1H3
InChIKeyVTLMFXPYCLVBNY-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.81
Rot. Bonds3

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

5-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 789891) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID789891
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name5-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C14H11N3O2/c1-18-12-4-2-11(3-5-12)14-16-13(17-19-14)10-6-8-15-9-7-10/h2-9H,1H3
InChIKeyVTLMFXPYCLVBNY-UHFFFAOYSA-N
XLogP2.81
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2-Ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 891438
Cym5181
CID 976135
2-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 789864
4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
4-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridine
CID 1872802
3-(Pyridin-2-yl)-5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 9948499
3-[5-(4-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 678423
4-[5-(3-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 789859
4-[5-[(4-Methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridine
CID 806077
4-[5-(2-Methoxybenzyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 848354
5-(2,4-Dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 891517
5-[(3,4-Dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 1105282

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 789891) is 5-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is VTLMFXPYCLVBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-18-12-4-2-11(3-5-12)14-16-13(17-19-14)10-6-8-15-9-7-10/h2-9H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 253.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 789891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).