2-(4-carbazol-9-ylphenyl)-6-fluoro-1,3-benzoxazole

C25H15FN2O — CID 59228025

IUPAC2-(4-carbazol-9-ylphenyl)-6-fluoro-1,3-benzoxazole
SMILESFc1ccc2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)oc2c1
InChIInChI=1S/C25H15FN2O/c26-17-11-14-21-24(15-17)29-25(27-21)16-9-12-18(13-10-16)28-22-7-3-1-5-19(22)20-6-2-4-8-23(20)28/h1-15H
InChIKeyOWOSBWLOMJCOHN-UHFFFAOYSA-N
MW378.41 g/mol
LogP6.73
Rot. Bonds2

About 2-(4-carbazol-9-ylphenyl)-6-fluoro-1,3-benzoxazole

2-(4-carbazol-9-ylphenyl)-6-fluoro-1,3-benzoxazole (PubChem CID 59228025) has the molecular formula C25H15FN2O and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-6-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-6-fluoro-1,3-benzoxazole
PubChem CID59228025
Molecular FormulaC25H15FN2O
Molecular Weight378.41 g/mol
Exact Mass378.12
IUPAC Name2-(4-carbazol-9-ylphenyl)-6-fluoro-1,3-benzoxazole
SMILESFc1ccc2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)oc2c1
InChIInChI=1S/C25H15FN2O/c26-17-11-14-21-24(15-17)29-25(27-21)16-9-12-18(13-10-16)28-22-7-3-1-5-19(22)20-6-2-4-8-23(20)28/h1-15H
InChIKeyOWOSBWLOMJCOHN-UHFFFAOYSA-N
XLogP6.73
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.41
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-6-fluoro-1,3-benzoxazole?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-6-fluoro-1,3-benzoxazole (CID 59228025) is 2-(4-carbazol-9-ylphenyl)-6-fluoro-1,3-benzoxazole.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-6-fluoro-1,3-benzoxazole?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-6-fluoro-1,3-benzoxazole is Fc1ccc2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)oc2c1.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-6-fluoro-1,3-benzoxazole?
The InChIKey is OWOSBWLOMJCOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15FN2O/c26-17-11-14-21-24(15-17)29-25(27-21)16-9-12-18(13-10-16)28-22-7-3-1-5-19(22)20-6-2-4-8-23(20)28/h1-15H.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-6-fluoro-1,3-benzoxazole?
2-(4-carbazol-9-ylphenyl)-6-fluoro-1,3-benzoxazole has a molecular weight of 378.41 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-6-fluoro-1,3-benzoxazole is sourced from PubChem (CID 59228025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).