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

C14H11N3O2 — CID 25054364

IUPAC2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCOc1cccc(-c2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C14H11N3O2/c1-18-12-6-2-4-10(8-12)13-16-17-14(19-13)11-5-3-7-15-9-11/h2-9H,1H3
InChIKeyUGFDAVCJWCFKJG-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.81
Rot. Bonds3

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

2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 25054364) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID25054364
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCOc1cccc(-c2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C14H11N3O2/c1-18-12-6-2-4-10(8-12)13-16-17-14(19-13)11-5-3-7-15-9-11/h2-9H,1H3
InChIKeyUGFDAVCJWCFKJG-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole (CID 25054364) is 2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole is COc1cccc(-c2nnc(-c3cccnc3)o2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is UGFDAVCJWCFKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-18-12-6-2-4-10(8-12)13-16-17-14(19-13)11-5-3-7-15-9-11/h2-9H,1H3.
What are the key properties of 2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-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 2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 25054364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).