3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide

C26H20FN5O3 — CID 72696789

IUPAC3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide
SMILESN#Cc1cc(F)ccc1-c1noc(CCC(=O)Nc2ccc3c(c2)c2ccccc2n3CCO)n1
InChIInChI=1S/C26H20FN5O3/c27-17-5-7-19(16(13-17)15-28)26-30-25(35-31-26)10-9-24(34)29-18-6-8-23-21(14-18)20-3-1-2-4-22(20)32(23)11-12-33/h1-8,13-14,33H,9-12H2,(H,29,34)
InChIKeyKCLCEHHQUKPSSS-UHFFFAOYSA-N
MW469.48 g/mol
LogP4.42
Rot. Bonds7

About 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide

3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide (PubChem CID 72696789) has the molecular formula C26H20FN5O3 and a molecular weight of 469.48 g/mol. Its IUPAC name is 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide.

Molecular Properties

Compound Name3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide
PubChem CID72696789
Molecular FormulaC26H20FN5O3
Molecular Weight469.48 g/mol
Exact Mass469.16
IUPAC Name3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide
SMILESN#Cc1cc(F)ccc1-c1noc(CCC(=O)Nc2ccc3c(c2)c2ccccc2n3CCO)n1
InChIInChI=1S/C26H20FN5O3/c27-17-5-7-19(16(13-17)15-28)26-30-25(35-31-26)10-9-24(34)29-18-6-8-23-21(14-18)20-3-1-2-4-22(20)32(23)11-12-33/h1-8,13-14,33H,9-12H2,(H,29,34)
InChIKeyKCLCEHHQUKPSSS-UHFFFAOYSA-N
XLogP4.42
TPSA116.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide 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 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide?
The IUPAC name of 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide (CID 72696789) is 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide.
What is the SMILES notation for 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide?
The canonical SMILES for 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide is N#Cc1cc(F)ccc1-c1noc(CCC(=O)Nc2ccc3c(c2)c2ccccc2n3CCO)n1.
What is the InChIKey of 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide?
The InChIKey is KCLCEHHQUKPSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O3/c27-17-5-7-19(16(13-17)15-28)26-30-25(35-31-26)10-9-24(34)29-18-6-8-23-21(14-18)20-3-1-2-4-22(20)32(23)11-12-33/h1-8,13-14,33H,9-12H2,(H,29,34).
What are the key properties of 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide?
3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide has a molecular weight of 469.48 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide is sourced from PubChem (CID 72696789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).