1-[2-(4-methoxyphenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one

C16H15N3O4 — CID 47045837

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one
SMILESCOc1ccc(OCCn2cc(-c3nnco3)ccc2=O)cc1
InChIInChI=1S/C16H15N3O4/c1-21-13-3-5-14(6-4-13)22-9-8-19-10-12(2-7-15(19)20)16-18-17-11-23-16/h2-7,10-11H,8-9H2,1H3
InChIKeyFOENQYDZHDFAFB-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.99
Rot. Bonds6

About 1-[2-(4-methoxyphenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one

1-[2-(4-methoxyphenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one (PubChem CID 47045837) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one
PubChem CID47045837
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one
SMILESCOc1ccc(OCCn2cc(-c3nnco3)ccc2=O)cc1
InChIInChI=1S/C16H15N3O4/c1-21-13-3-5-14(6-4-13)22-9-8-19-10-12(2-7-15(19)20)16-18-17-11-23-16/h2-7,10-11H,8-9H2,1H3
InChIKeyFOENQYDZHDFAFB-UHFFFAOYSA-N
XLogP1.99
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one (CID 47045837) is 1-[2-(4-methoxyphenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one is COc1ccc(OCCn2cc(-c3nnco3)ccc2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one?
The InChIKey is FOENQYDZHDFAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-21-13-3-5-14(6-4-13)22-9-8-19-10-12(2-7-15(19)20)16-18-17-11-23-16/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one?
1-[2-(4-methoxyphenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one has a molecular weight of 313.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one is sourced from PubChem (CID 47045837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).