3-[3-[9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]propyl]-1,3-oxazolidin-2-one

C22H26F3N3O2 — CID 71031433

IUPAC3-[3-[9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]propyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCCN1CCC2Cc3[nH]c4ccc(C(F)(F)F)cc4c3CC2C1
InChIInChI=1S/C22H26F3N3O2/c23-22(24,25)16-2-3-19-18(12-16)17-10-15-13-27(7-4-14(15)11-20(17)26-19)5-1-6-28-8-9-30-21(28)29/h2-3,12,14-15,26H,1,4-11,13H2
InChIKeyAKIHLHKJIGCICO-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.07
Rot. Bonds4

About 3-[3-[9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]propyl]-1,3-oxazolidin-2-one

3-[3-[9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]propyl]-1,3-oxazolidin-2-one (PubChem CID 71031433) has the molecular formula C22H26F3N3O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 3-[3-[9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]propyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]propyl]-1,3-oxazolidin-2-one
PubChem CID71031433
Molecular FormulaC22H26F3N3O2
Molecular Weight421.46 g/mol
Exact Mass421.20
IUPAC Name3-[3-[9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]propyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCCN1CCC2Cc3[nH]c4ccc(C(F)(F)F)cc4c3CC2C1
InChIInChI=1S/C22H26F3N3O2/c23-22(24,25)16-2-3-19-18(12-16)17-10-15-13-27(7-4-14(15)11-20(17)26-19)5-1-6-28-8-9-30-21(28)29/h2-3,12,14-15,26H,1,4-11,13H2
InChIKeyAKIHLHKJIGCICO-UHFFFAOYSA-N
XLogP4.07
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-[9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]propyl]-1,3-oxazolidin-2-one 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-[9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]propyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]propyl]-1,3-oxazolidin-2-one (CID 71031433) is 3-[3-[9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]propyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]propyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]propyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCCN1CCC2Cc3[nH]c4ccc(C(F)(F)F)cc4c3CC2C1.
What is the InChIKey of 3-[3-[9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]propyl]-1,3-oxazolidin-2-one?
The InChIKey is AKIHLHKJIGCICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O2/c23-22(24,25)16-2-3-19-18(12-16)17-10-15-13-27(7-4-14(15)11-20(17)26-19)5-1-6-28-8-9-30-21(28)29/h2-3,12,14-15,26H,1,4-11,13H2.
What are the key properties of 3-[3-[9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]propyl]-1,3-oxazolidin-2-one?
3-[3-[9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]propyl]-1,3-oxazolidin-2-one has a molecular weight of 421.46 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71031433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).