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

C15H13N3O2 — CID 848354

IUPAC5-[(2-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCOc1ccccc1Cc1nc(-c2ccncc2)no1
InChIInChI=1S/C15H13N3O2/c1-19-13-5-3-2-4-12(13)10-14-17-15(18-20-14)11-6-8-16-9-7-11/h2-9H,10H2,1H3
InChIKeyLYYRDWGEDDYDGX-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.73
Rot. Bonds4

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

5-[(2-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 848354) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID848354
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-[(2-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCOc1ccccc1Cc1nc(-c2ccncc2)no1
InChIInChI=1S/C15H13N3O2/c1-19-13-5-3-2-4-12(13)10-14-17-15(18-20-14)11-6-8-16-9-7-11/h2-9H,10H2,1H3
InChIKeyLYYRDWGEDDYDGX-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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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 848354) is 5-[(2-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole is COc1ccccc1Cc1nc(-c2ccncc2)no1.
What is the InChIKey of 5-[(2-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is LYYRDWGEDDYDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-19-13-5-3-2-4-12(13)10-14-17-15(18-20-14)11-6-8-16-9-7-11/h2-9H,10H2,1H3.
What are the key properties of 5-[(2-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[(2-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-[(2-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 848354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).