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

C15H13N3O2 — CID 806077

IUPAC5-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C15H13N3O2/c1-19-13-4-2-11(3-5-13)10-14-17-15(18-20-14)12-6-8-16-9-7-12/h2-9H,10H2,1H3
InChIKeyUCMDGOWWUQIFFI-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.73
Rot. Bonds4

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

5-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 806077) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID806077
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C15H13N3O2/c1-19-13-4-2-11(3-5-13)10-14-17-15(18-20-14)12-6-8-16-9-7-12/h2-9H,10H2,1H3
InChIKeyUCMDGOWWUQIFFI-UHFFFAOYSA-N
XLogP2.73
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cym5181
CID 976135
4-[5-(2-Ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 891438
4-[5-(4-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 789891
2-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 789864
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
N-isopropyl-2-(4-propylphenoxy)-N-((3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 56945245
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-(2-Methoxybenzyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 848354
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
CID 866891
3-{5-[(2-Methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 874555

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 806077) is 5-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole is COc1ccc(Cc2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is UCMDGOWWUQIFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-19-13-4-2-11(3-5-13)10-14-17-15(18-20-14)12-6-8-16-9-7-12/h2-9H,10H2,1H3.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 267.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 806077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).