3-(9H-fluoren-1-yl)-2H-1,2-oxazol-5-one

C16H11NO2 — CID 123373181

IUPAC3-(9H-fluoren-1-yl)-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2cccc3c2Cc2ccccc2-3)[nH]o1
InChIInChI=1S/C16H11NO2/c18-16-9-15(17-19-16)13-7-3-6-12-11-5-2-1-4-10(11)8-14(12)13/h1-7,9,17H,8H2
InChIKeyLMEVMROLFJSIMX-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.21
Rot. Bonds1

About 3-(9H-fluoren-1-yl)-2H-1,2-oxazol-5-one

3-(9H-fluoren-1-yl)-2H-1,2-oxazol-5-one (PubChem CID 123373181) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(9H-fluoren-1-yl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(9H-fluoren-1-yl)-2H-1,2-oxazol-5-one
PubChem CID123373181
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name3-(9H-fluoren-1-yl)-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2cccc3c2Cc2ccccc2-3)[nH]o1
InChIInChI=1S/C16H11NO2/c18-16-9-15(17-19-16)13-7-3-6-12-11-5-2-1-4-10(11)8-14(12)13/h1-7,9,17H,8H2
InChIKeyLMEVMROLFJSIMX-UHFFFAOYSA-N
XLogP3.21
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-1-yl)-2H-1,2-oxazol-5-one?
The IUPAC name of 3-(9H-fluoren-1-yl)-2H-1,2-oxazol-5-one (CID 123373181) is 3-(9H-fluoren-1-yl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(9H-fluoren-1-yl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-(9H-fluoren-1-yl)-2H-1,2-oxazol-5-one is O=c1cc(-c2cccc3c2Cc2ccccc2-3)[nH]o1.
What is the InChIKey of 3-(9H-fluoren-1-yl)-2H-1,2-oxazol-5-one?
The InChIKey is LMEVMROLFJSIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-16-9-15(17-19-16)13-7-3-6-12-11-5-2-1-4-10(11)8-14(12)13/h1-7,9,17H,8H2.
What are the key properties of 3-(9H-fluoren-1-yl)-2H-1,2-oxazol-5-one?
3-(9H-fluoren-1-yl)-2H-1,2-oxazol-5-one has a molecular weight of 249.27 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-1-yl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 123373181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).