5-(3-cyclohexylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole

C23H20FN5O — CID 141490956

IUPAC5-(3-cyclohexylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESFc1ccc(-c2nc3occn3c2-c2ccc3nnn(C4CCCCC4)c3c2)cc1
InChIInChI=1S/C23H20FN5O/c24-17-9-6-15(7-10-17)21-22(28-12-13-30-23(28)25-21)16-8-11-19-20(14-16)29(27-26-19)18-4-2-1-3-5-18/h6-14,18H,1-5H2
InChIKeyOZCZUNXYKAAFRQ-UHFFFAOYSA-N
MW401.45 g/mol
LogP5.65
Rot. Bonds3

About 5-(3-cyclohexylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole

5-(3-cyclohexylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole (PubChem CID 141490956) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is 5-(3-cyclohexylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-(3-cyclohexylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
PubChem CID141490956
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC Name5-(3-cyclohexylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESFc1ccc(-c2nc3occn3c2-c2ccc3nnn(C4CCCCC4)c3c2)cc1
InChIInChI=1S/C23H20FN5O/c24-17-9-6-15(7-10-17)21-22(28-12-13-30-23(28)25-21)16-8-11-19-20(14-16)29(27-26-19)18-4-2-1-3-5-18/h6-14,18H,1-5H2
InChIKeyOZCZUNXYKAAFRQ-UHFFFAOYSA-N
XLogP5.65
TPSA61.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.45
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclohexylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5-(3-cyclohexylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole (CID 141490956) is 5-(3-cyclohexylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-(3-cyclohexylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-(3-cyclohexylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole is Fc1ccc(-c2nc3occn3c2-c2ccc3nnn(C4CCCCC4)c3c2)cc1.
What is the InChIKey of 5-(3-cyclohexylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is OZCZUNXYKAAFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c24-17-9-6-15(7-10-17)21-22(28-12-13-30-23(28)25-21)16-8-11-19-20(14-16)29(27-26-19)18-4-2-1-3-5-18/h6-14,18H,1-5H2.
What are the key properties of 5-(3-cyclohexylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
5-(3-cyclohexylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 401.45 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclohexylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 141490956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).