ethane;3-(3-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole

C13H15FN2O — CID 91412882

IUPACethane;3-(3-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESCC.Fc1cccc(C2COc3nccn32)c1
InChIInChI=1S/C11H9FN2O.C2H6/c12-9-3-1-2-8(6-9)10-7-15-11-13-4-5-14(10)11;1-2/h1-6,10H,7H2;1-2H3
InChIKeyKAKDJDLANIPIIH-UHFFFAOYSA-N
MW234.27 g/mol
LogP3.03
Rot. Bonds1

About ethane;3-(3-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole

ethane;3-(3-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole (PubChem CID 91412882) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is ethane;3-(3-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Nameethane;3-(3-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole
PubChem CID91412882
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Nameethane;3-(3-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESCC.Fc1cccc(C2COc3nccn32)c1
InChIInChI=1S/C11H9FN2O.C2H6/c12-9-3-1-2-8(6-9)10-7-15-11-13-4-5-14(10)11;1-2/h1-6,10H,7H2;1-2H3
InChIKeyKAKDJDLANIPIIH-UHFFFAOYSA-N
XLogP3.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The IUPAC name of ethane;3-(3-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole (CID 91412882) is ethane;3-(3-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for ethane;3-(3-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for ethane;3-(3-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole is CC.Fc1cccc(C2COc3nccn32)c1.
What is the InChIKey of ethane;3-(3-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The InChIKey is KAKDJDLANIPIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O.C2H6/c12-9-3-1-2-8(6-9)10-7-15-11-13-4-5-14(10)11;1-2/h1-6,10H,7H2;1-2H3.
What are the key properties of ethane;3-(3-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
ethane;3-(3-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole has a molecular weight of 234.27 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 91412882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).