(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate

C20H19N3O5 — CID 29498043

About (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate

(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate (PubChem CID 29498043) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate.

Molecular Properties

• Compound Name: (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
• PubChem CID: 29498043
• Molecular Formula: C20H19N3O5
• Molecular Weight: 381.39 g/mol
• Exact Mass: 381.13
• IUPAC Name: (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
• SMILES: C/C=C/c1ccc(OCC(=O)OCc2nc(-c3cccnc3)no2)c(OC)c1
• InChI: InChI=1S/C20H19N3O5/c1-3-5-14-7-8-16(17(10-14)25-2)26-13-19(24)27-12-18-22-20(23-28-18)15-6-4-9-21-11-15/h3-11H,12-13H2,1-2H3/b5-3+
• InChIKey: YLHXRWHBQLQIEW-HWKANZROSA-N
• XLogP: 3.30
• TPSA: 96.57 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.39
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?

The IUPAC name of (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate (CID 29498043) is (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate.

What is the SMILES notation for (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?

The canonical SMILES for (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate is C/C=C/c1ccc(OCC(=O)OCc2nc(-c3cccnc3)no2)c(OC)c1.

What is the InChIKey of (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?

The InChIKey is YLHXRWHBQLQIEW-HWKANZROSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-3-5-14-7-8-16(17(10-14)25-2)26-13-19(24)27-12-18-22-20(23-28-18)15-6-4-9-21-11-15/h3-11H,12-13H2,1-2H3/b5-3+.

What are the key properties of (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?

(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate has a molecular weight of 381.39 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate is sourced from PubChem (CID 29498043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).