1,5-bis(1,2-oxazol-3-yl)penta-1,4-dien-3-one

C11H8N2O3 — CID 154926152

IUPAC1,5-bis(1,2-oxazol-3-yl)penta-1,4-dien-3-one
SMILESO=C(C=Cc1ccon1)C=Cc1ccon1
InChIInChI=1S/C11H8N2O3/c14-11(3-1-9-5-7-15-12-9)4-2-10-6-8-16-13-10/h1-8H
InChIKeyONNYCVKBVZNMGT-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.96
Rot. Bonds4

About 1,5-bis(1,2-oxazol-3-yl)penta-1,4-dien-3-one

1,5-bis(1,2-oxazol-3-yl)penta-1,4-dien-3-one (PubChem CID 154926152) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 1,5-bis(1,2-oxazol-3-yl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name1,5-bis(1,2-oxazol-3-yl)penta-1,4-dien-3-one
PubChem CID154926152
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name1,5-bis(1,2-oxazol-3-yl)penta-1,4-dien-3-one
SMILESO=C(C=Cc1ccon1)C=Cc1ccon1
InChIInChI=1S/C11H8N2O3/c14-11(3-1-9-5-7-15-12-9)4-2-10-6-8-16-13-10/h1-8H
InChIKeyONNYCVKBVZNMGT-UHFFFAOYSA-N
XLogP1.96
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(1,2-oxazol-3-yl)penta-1,4-dien-3-one?
The IUPAC name of 1,5-bis(1,2-oxazol-3-yl)penta-1,4-dien-3-one (CID 154926152) is 1,5-bis(1,2-oxazol-3-yl)penta-1,4-dien-3-one.
What is the SMILES notation for 1,5-bis(1,2-oxazol-3-yl)penta-1,4-dien-3-one?
The canonical SMILES for 1,5-bis(1,2-oxazol-3-yl)penta-1,4-dien-3-one is O=C(C=Cc1ccon1)C=Cc1ccon1.
What is the InChIKey of 1,5-bis(1,2-oxazol-3-yl)penta-1,4-dien-3-one?
The InChIKey is ONNYCVKBVZNMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-11(3-1-9-5-7-15-12-9)4-2-10-6-8-16-13-10/h1-8H.
What are the key properties of 1,5-bis(1,2-oxazol-3-yl)penta-1,4-dien-3-one?
1,5-bis(1,2-oxazol-3-yl)penta-1,4-dien-3-one has a molecular weight of 216.20 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(1,2-oxazol-3-yl)penta-1,4-dien-3-one is sourced from PubChem (CID 154926152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).