1-(1,3-oxazol-2-yl)anthracene-9,10-dione

C17H9NO3 — CID 57161600

IUPAC1-(1,3-oxazol-2-yl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1cccc2-c1ncco1
InChIInChI=1S/C17H9NO3/c19-15-10-4-1-2-5-11(10)16(20)14-12(15)6-3-7-13(14)17-18-8-9-21-17/h1-9H
InChIKeyXZIKCIUQWSWXFI-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.12
Rot. Bonds1

About 1-(1,3-oxazol-2-yl)anthracene-9,10-dione

1-(1,3-oxazol-2-yl)anthracene-9,10-dione (PubChem CID 57161600) has the molecular formula C17H9NO3 and a molecular weight of 275.26 g/mol. Its IUPAC name is 1-(1,3-oxazol-2-yl)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(1,3-oxazol-2-yl)anthracene-9,10-dione
PubChem CID57161600
Molecular FormulaC17H9NO3
Molecular Weight275.26 g/mol
Exact Mass275.06
IUPAC Name1-(1,3-oxazol-2-yl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1cccc2-c1ncco1
InChIInChI=1S/C17H9NO3/c19-15-10-4-1-2-5-11(10)16(20)14-12(15)6-3-7-13(14)17-18-8-9-21-17/h1-9H
InChIKeyXZIKCIUQWSWXFI-UHFFFAOYSA-N
XLogP3.12
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-2-yl)anthracene-9,10-dione?
The IUPAC name of 1-(1,3-oxazol-2-yl)anthracene-9,10-dione (CID 57161600) is 1-(1,3-oxazol-2-yl)anthracene-9,10-dione.
What is the SMILES notation for 1-(1,3-oxazol-2-yl)anthracene-9,10-dione?
The canonical SMILES for 1-(1,3-oxazol-2-yl)anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c1cccc2-c1ncco1.
What is the InChIKey of 1-(1,3-oxazol-2-yl)anthracene-9,10-dione?
The InChIKey is XZIKCIUQWSWXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9NO3/c19-15-10-4-1-2-5-11(10)16(20)14-12(15)6-3-7-13(14)17-18-8-9-21-17/h1-9H.
What are the key properties of 1-(1,3-oxazol-2-yl)anthracene-9,10-dione?
1-(1,3-oxazol-2-yl)anthracene-9,10-dione has a molecular weight of 275.26 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-2-yl)anthracene-9,10-dione is sourced from PubChem (CID 57161600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).