6-(4-fluorophenyl)-5-[(2E)-penta-2,4-dien-2-yl]-7,7a-dihydroimidazo[2,1-b][1,3]oxazole

C16H15FN2O — CID 88885004

IUPAC6-(4-fluorophenyl)-5-[(2E)-penta-2,4-dien-2-yl]-7,7a-dihydroimidazo[2,1-b][1,3]oxazole
SMILESC=C/C=C(\C)C1=C(c2ccc(F)cc2)NC2OC=CN12
InChIInChI=1S/C16H15FN2O/c1-3-4-11(2)15-14(12-5-7-13(17)8-6-12)18-16-19(15)9-10-20-16/h3-10,16,18H,1H2,2H3/b11-4+
InChIKeyGSFZFTYXTPPDDY-NYYWCZLTSA-N
MW270.31 g/mol
LogP3.32
Rot. Bonds3

About 6-(4-fluorophenyl)-5-[(2E)-penta-2,4-dien-2-yl]-7,7a-dihydroimidazo[2,1-b][1,3]oxazole

6-(4-fluorophenyl)-5-[(2E)-penta-2,4-dien-2-yl]-7,7a-dihydroimidazo[2,1-b][1,3]oxazole (PubChem CID 88885004) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-[(2E)-penta-2,4-dien-2-yl]-7,7a-dihydroimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-[(2E)-penta-2,4-dien-2-yl]-7,7a-dihydroimidazo[2,1-b][1,3]oxazole
PubChem CID88885004
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name6-(4-fluorophenyl)-5-[(2E)-penta-2,4-dien-2-yl]-7,7a-dihydroimidazo[2,1-b][1,3]oxazole
SMILESC=C/C=C(\C)C1=C(c2ccc(F)cc2)NC2OC=CN12
InChIInChI=1S/C16H15FN2O/c1-3-4-11(2)15-14(12-5-7-13(17)8-6-12)18-16-19(15)9-10-20-16/h3-10,16,18H,1H2,2H3/b11-4+
InChIKeyGSFZFTYXTPPDDY-NYYWCZLTSA-N
XLogP3.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-[(2E)-penta-2,4-dien-2-yl]-7,7a-dihydroimidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-(4-fluorophenyl)-5-[(2E)-penta-2,4-dien-2-yl]-7,7a-dihydroimidazo[2,1-b][1,3]oxazole (CID 88885004) is 6-(4-fluorophenyl)-5-[(2E)-penta-2,4-dien-2-yl]-7,7a-dihydroimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-(4-fluorophenyl)-5-[(2E)-penta-2,4-dien-2-yl]-7,7a-dihydroimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-(4-fluorophenyl)-5-[(2E)-penta-2,4-dien-2-yl]-7,7a-dihydroimidazo[2,1-b][1,3]oxazole is C=C/C=C(\C)C1=C(c2ccc(F)cc2)NC2OC=CN12.
What is the InChIKey of 6-(4-fluorophenyl)-5-[(2E)-penta-2,4-dien-2-yl]-7,7a-dihydroimidazo[2,1-b][1,3]oxazole?
The InChIKey is GSFZFTYXTPPDDY-NYYWCZLTSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-3-4-11(2)15-14(12-5-7-13(17)8-6-12)18-16-19(15)9-10-20-16/h3-10,16,18H,1H2,2H3/b11-4+.
What are the key properties of 6-(4-fluorophenyl)-5-[(2E)-penta-2,4-dien-2-yl]-7,7a-dihydroimidazo[2,1-b][1,3]oxazole?
6-(4-fluorophenyl)-5-[(2E)-penta-2,4-dien-2-yl]-7,7a-dihydroimidazo[2,1-b][1,3]oxazole has a molecular weight of 270.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-[(2E)-penta-2,4-dien-2-yl]-7,7a-dihydroimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 88885004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).