4-tert-butyl-2-carbazol-9-yl-6-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenol

C30H23F2N3O2 — CID 135981485

IUPAC4-tert-butyl-2-carbazol-9-yl-6-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCC(C)(C)c1cc(-c2noc(-c3c(F)cccc3F)n2)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C30H23F2N3O2/c1-30(2,3)17-15-20(28-33-29(37-34-28)26-21(31)11-8-12-22(26)32)27(36)25(16-17)35-23-13-6-4-9-18(23)19-10-5-7-14-24(19)35/h4-16,36H,1-3H3
InChIKeyRIZRZOOPKWFAOL-UHFFFAOYSA-N
MW495.53 g/mol
LogP7.78
Rot. Bonds3

About 4-tert-butyl-2-carbazol-9-yl-6-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenol

4-tert-butyl-2-carbazol-9-yl-6-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 135981485) has the molecular formula C30H23F2N3O2 and a molecular weight of 495.53 g/mol. Its IUPAC name is 4-tert-butyl-2-carbazol-9-yl-6-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-carbazol-9-yl-6-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID135981485
Molecular FormulaC30H23F2N3O2
Molecular Weight495.53 g/mol
Exact Mass495.18
IUPAC Name4-tert-butyl-2-carbazol-9-yl-6-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCC(C)(C)c1cc(-c2noc(-c3c(F)cccc3F)n2)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C30H23F2N3O2/c1-30(2,3)17-15-20(28-33-29(37-34-28)26-21(31)11-8-12-22(26)32)27(36)25(16-17)35-23-13-6-4-9-18(23)19-10-5-7-14-24(19)35/h4-16,36H,1-3H3
InChIKeyRIZRZOOPKWFAOL-UHFFFAOYSA-N
XLogP7.78
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.53
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-tert-butyl-2-carbazol-9-yl-6-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-carbazol-9-yl-6-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-tert-butyl-2-carbazol-9-yl-6-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenol (CID 135981485) is 4-tert-butyl-2-carbazol-9-yl-6-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-tert-butyl-2-carbazol-9-yl-6-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-tert-butyl-2-carbazol-9-yl-6-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenol is CC(C)(C)c1cc(-c2noc(-c3c(F)cccc3F)n2)c(O)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-tert-butyl-2-carbazol-9-yl-6-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is RIZRZOOPKWFAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F2N3O2/c1-30(2,3)17-15-20(28-33-29(37-34-28)26-21(31)11-8-12-22(26)32)27(36)25(16-17)35-23-13-6-4-9-18(23)19-10-5-7-14-24(19)35/h4-16,36H,1-3H3.
What are the key properties of 4-tert-butyl-2-carbazol-9-yl-6-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
4-tert-butyl-2-carbazol-9-yl-6-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 495.53 g/mol, XLogP of 7.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-carbazol-9-yl-6-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 135981485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).