2,5-bis(2-prop-2-enoxyphenyl)-1,3,4-oxadiazole

C20H18N2O3 — CID 10404642

IUPAC2,5-bis(2-prop-2-enoxyphenyl)-1,3,4-oxadiazole
SMILESC=CCOc1ccccc1-c1nnc(-c2ccccc2OCC=C)o1
InChIInChI=1S/C20H18N2O3/c1-3-13-23-17-11-7-5-9-15(17)19-21-22-20(25-19)16-10-6-8-12-18(16)24-14-4-2/h3-12H,1-2,13-14H2
InChIKeyULTNYBCIYZVQJO-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.53
Rot. Bonds8

About 2,5-bis(2-prop-2-enoxyphenyl)-1,3,4-oxadiazole

2,5-bis(2-prop-2-enoxyphenyl)-1,3,4-oxadiazole (PubChem CID 10404642) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2,5-bis(2-prop-2-enoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis(2-prop-2-enoxyphenyl)-1,3,4-oxadiazole
PubChem CID10404642
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2,5-bis(2-prop-2-enoxyphenyl)-1,3,4-oxadiazole
SMILESC=CCOc1ccccc1-c1nnc(-c2ccccc2OCC=C)o1
InChIInChI=1S/C20H18N2O3/c1-3-13-23-17-11-7-5-9-15(17)19-21-22-20(25-19)16-10-6-8-12-18(16)24-14-4-2/h3-12H,1-2,13-14H2
InChIKeyULTNYBCIYZVQJO-UHFFFAOYSA-N
XLogP4.53
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-prop-2-enoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis(2-prop-2-enoxyphenyl)-1,3,4-oxadiazole (CID 10404642) is 2,5-bis(2-prop-2-enoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis(2-prop-2-enoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis(2-prop-2-enoxyphenyl)-1,3,4-oxadiazole is C=CCOc1ccccc1-c1nnc(-c2ccccc2OCC=C)o1.
What is the InChIKey of 2,5-bis(2-prop-2-enoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is ULTNYBCIYZVQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-3-13-23-17-11-7-5-9-15(17)19-21-22-20(25-19)16-10-6-8-12-18(16)24-14-4-2/h3-12H,1-2,13-14H2.
What are the key properties of 2,5-bis(2-prop-2-enoxyphenyl)-1,3,4-oxadiazole?
2,5-bis(2-prop-2-enoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 334.38 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-prop-2-enoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 10404642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).