5-[9-[3-(3,5-difluorophenoxy)-2-fluoropropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole

C24H22F3N3O2 — CID 62705471

IUPAC5-[9-[3-(3,5-difluorophenoxy)-2-fluoropropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc3c(c2)c2c(n3CC(F)COc3cc(F)cc(F)c3)CCCC2)n1
InChIInChI=1S/C24H22F3N3O2/c1-14-28-24(32-29-14)15-6-7-23-21(8-15)20-4-2-3-5-22(20)30(23)12-18(27)13-31-19-10-16(25)9-17(26)11-19/h6-11,18H,2-5,12-13H2,1H3
InChIKeyMAJDGZOZHNXQSL-UHFFFAOYSA-N
MW441.45 g/mol
LogP5.57
Rot. Bonds6

About 5-[9-[3-(3,5-difluorophenoxy)-2-fluoropropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole

5-[9-[3-(3,5-difluorophenoxy)-2-fluoropropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 62705471) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is 5-[9-[3-(3,5-difluorophenoxy)-2-fluoropropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[9-[3-(3,5-difluorophenoxy)-2-fluoropropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID62705471
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC Name5-[9-[3-(3,5-difluorophenoxy)-2-fluoropropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc3c(c2)c2c(n3CC(F)COc3cc(F)cc(F)c3)CCCC2)n1
InChIInChI=1S/C24H22F3N3O2/c1-14-28-24(32-29-14)15-6-7-23-21(8-15)20-4-2-3-5-22(20)30(23)12-18(27)13-31-19-10-16(25)9-17(26)11-19/h6-11,18H,2-5,12-13H2,1H3
InChIKeyMAJDGZOZHNXQSL-UHFFFAOYSA-N
XLogP5.57
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 5-[9-[3-(3,5-difluorophenoxy)-2-fluoropropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole 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 5-[9-[3-(3,5-difluorophenoxy)-2-fluoropropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[9-[3-(3,5-difluorophenoxy)-2-fluoropropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole (CID 62705471) is 5-[9-[3-(3,5-difluorophenoxy)-2-fluoropropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[9-[3-(3,5-difluorophenoxy)-2-fluoropropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[9-[3-(3,5-difluorophenoxy)-2-fluoropropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2ccc3c(c2)c2c(n3CC(F)COc3cc(F)cc(F)c3)CCCC2)n1.
What is the InChIKey of 5-[9-[3-(3,5-difluorophenoxy)-2-fluoropropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is MAJDGZOZHNXQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-14-28-24(32-29-14)15-6-7-23-21(8-15)20-4-2-3-5-22(20)30(23)12-18(27)13-31-19-10-16(25)9-17(26)11-19/h6-11,18H,2-5,12-13H2,1H3.
What are the key properties of 5-[9-[3-(3,5-difluorophenoxy)-2-fluoropropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[9-[3-(3,5-difluorophenoxy)-2-fluoropropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 441.45 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[3-(3,5-difluorophenoxy)-2-fluoropropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 62705471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).