2-[4-octoxy-3-(trifluoromethyl)phenyl]-5-[(4S)-2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl]-1,3,4-oxadiazole

C24H34F3N3O3 — CID 143622499

IUPAC2-[4-octoxy-3-(trifluoromethyl)phenyl]-5-[(4S)-2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl]-1,3,4-oxadiazole
SMILESCCCCCCCCOc1ccc(-c2nnc([C@]3(C)COC(C)(C)N3C)o2)cc1C(F)(F)F
InChIInChI=1S/C24H34F3N3O3/c1-6-7-8-9-10-11-14-31-19-13-12-17(15-18(19)24(25,26)27)20-28-29-21(33-20)23(4)16-32-22(2,3)30(23)5/h12-13,15H,6-11,14,16H2,1-5H3/t23-/m0/s1
InChIKeyJKZLAXGCSWNTEO-QHCPKHFHSA-N
MW469.55 g/mol
LogP6.41
Rot. Bonds10

About 2-[4-octoxy-3-(trifluoromethyl)phenyl]-5-[(4S)-2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl]-1,3,4-oxadiazole

2-[4-octoxy-3-(trifluoromethyl)phenyl]-5-[(4S)-2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl]-1,3,4-oxadiazole (PubChem CID 143622499) has the molecular formula C24H34F3N3O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 2-[4-octoxy-3-(trifluoromethyl)phenyl]-5-[(4S)-2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-octoxy-3-(trifluoromethyl)phenyl]-5-[(4S)-2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl]-1,3,4-oxadiazole
PubChem CID143622499
Molecular FormulaC24H34F3N3O3
Molecular Weight469.55 g/mol
Exact Mass469.26
IUPAC Name2-[4-octoxy-3-(trifluoromethyl)phenyl]-5-[(4S)-2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl]-1,3,4-oxadiazole
SMILESCCCCCCCCOc1ccc(-c2nnc([C@]3(C)COC(C)(C)N3C)o2)cc1C(F)(F)F
InChIInChI=1S/C24H34F3N3O3/c1-6-7-8-9-10-11-14-31-19-13-12-17(15-18(19)24(25,26)27)20-28-29-21(33-20)23(4)16-32-22(2,3)30(23)5/h12-13,15H,6-11,14,16H2,1-5H3/t23-/m0/s1
InChIKeyJKZLAXGCSWNTEO-QHCPKHFHSA-N
XLogP6.41
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-octoxy-3-(trifluoromethyl)phenyl]-5-[(4S)-2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl]-1,3,4-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 2-[4-octoxy-3-(trifluoromethyl)phenyl]-5-[(4S)-2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-octoxy-3-(trifluoromethyl)phenyl]-5-[(4S)-2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl]-1,3,4-oxadiazole (CID 143622499) is 2-[4-octoxy-3-(trifluoromethyl)phenyl]-5-[(4S)-2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-octoxy-3-(trifluoromethyl)phenyl]-5-[(4S)-2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-octoxy-3-(trifluoromethyl)phenyl]-5-[(4S)-2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl]-1,3,4-oxadiazole is CCCCCCCCOc1ccc(-c2nnc([C@]3(C)COC(C)(C)N3C)o2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-octoxy-3-(trifluoromethyl)phenyl]-5-[(4S)-2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl]-1,3,4-oxadiazole?
The InChIKey is JKZLAXGCSWNTEO-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H34F3N3O3/c1-6-7-8-9-10-11-14-31-19-13-12-17(15-18(19)24(25,26)27)20-28-29-21(33-20)23(4)16-32-22(2,3)30(23)5/h12-13,15H,6-11,14,16H2,1-5H3/t23-/m0/s1.
What are the key properties of 2-[4-octoxy-3-(trifluoromethyl)phenyl]-5-[(4S)-2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl]-1,3,4-oxadiazole?
2-[4-octoxy-3-(trifluoromethyl)phenyl]-5-[(4S)-2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl]-1,3,4-oxadiazole has a molecular weight of 469.55 g/mol, XLogP of 6.41, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-octoxy-3-(trifluoromethyl)phenyl]-5-[(4S)-2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 143622499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).