2-(2-fluorophenyl)-5-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-1,3,4-oxadiazole

C26H20FN3O — CID 122432813

IUPAC2-(2-fluorophenyl)-5-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(-c2ccccc2-n2c3c(c4ccccc42)CCCC3)o1
InChIInChI=1S/C26H20FN3O/c27-21-13-5-1-11-19(21)25-28-29-26(31-25)20-12-4-8-16-24(20)30-22-14-6-2-9-17(22)18-10-3-7-15-23(18)30/h1-2,4-6,8-9,11-14,16H,3,7,10,15H2
InChIKeyZEZKHTKVCIHXJF-UHFFFAOYSA-N
MW409.46 g/mol
LogP6.37
Rot. Bonds3

About 2-(2-fluorophenyl)-5-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-1,3,4-oxadiazole

2-(2-fluorophenyl)-5-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 122432813) has the molecular formula C26H20FN3O and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-1,3,4-oxadiazole
PubChem CID122432813
Molecular FormulaC26H20FN3O
Molecular Weight409.46 g/mol
Exact Mass409.16
IUPAC Name2-(2-fluorophenyl)-5-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(-c2ccccc2-n2c3c(c4ccccc42)CCCC3)o1
InChIInChI=1S/C26H20FN3O/c27-21-13-5-1-11-19(21)25-28-29-26(31-25)20-12-4-8-16-24(20)30-22-14-6-2-9-17(22)18-10-3-7-15-23(18)30/h1-2,4-6,8-9,11-14,16H,3,7,10,15H2
InChIKeyZEZKHTKVCIHXJF-UHFFFAOYSA-N
XLogP6.37
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.46
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluorophenyl)-5-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-1,3,4-oxadiazole (CID 122432813) is 2-(2-fluorophenyl)-5-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-5-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-1,3,4-oxadiazole is Fc1ccccc1-c1nnc(-c2ccccc2-n2c3c(c4ccccc42)CCCC3)o1.
What is the InChIKey of 2-(2-fluorophenyl)-5-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is ZEZKHTKVCIHXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O/c27-21-13-5-1-11-19(21)25-28-29-26(31-25)20-12-4-8-16-24(20)30-22-14-6-2-9-17(22)18-10-3-7-15-23(18)30/h1-2,4-6,8-9,11-14,16H,3,7,10,15H2.
What are the key properties of 2-(2-fluorophenyl)-5-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-1,3,4-oxadiazole?
2-(2-fluorophenyl)-5-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 409.46 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 122432813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).