2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide

C22H19F3N6O2S — CID 112786655

IUPAC2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)o1)c1ccccc1
InChIInChI=1S/C22H19F3N6O2S/c1-14(15-5-3-2-4-6-15)9-20-29-30-21(33-20)34-11-19(32)28-17-10-16(22(23,24)25)7-8-18(17)31-13-26-12-27-31/h2-8,10,12-14H,9,11H2,1H3,(H,28,32)
InChIKeyXOTQMSVHLMDOHU-UHFFFAOYSA-N
MW488.50 g/mol
LogP4.75
Rot. Bonds8

About 2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide

2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 112786655) has the molecular formula C22H19F3N6O2S and a molecular weight of 488.50 g/mol. Its IUPAC name is 2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID112786655
Molecular FormulaC22H19F3N6O2S
Molecular Weight488.50 g/mol
Exact Mass488.12
IUPAC Name2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)o1)c1ccccc1
InChIInChI=1S/C22H19F3N6O2S/c1-14(15-5-3-2-4-6-15)9-20-29-30-21(33-20)34-11-19(32)28-17-10-16(22(23,24)25)7-8-18(17)31-13-26-12-27-31/h2-8,10,12-14H,9,11H2,1H3,(H,28,32)
InChIKeyXOTQMSVHLMDOHU-UHFFFAOYSA-N
XLogP4.75
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 9132535
N-(2,5-difluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78766163
2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 27988040
N-(4-iodo-2-methylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786769
N-(3-fluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78766160
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 25495842
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 34673257
N-methyl-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 8772270
2-bromo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 67168193
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 42114984
2-[[(2S)-butan-2-yl]-[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]amino]acetic acid
CID 124683822
N-(2-fluoro-5-nitrophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786790

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide (CID 112786655) is 2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide is CC(Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)o1)c1ccccc1.
What is the InChIKey of 2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XOTQMSVHLMDOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O2S/c1-14(15-5-3-2-4-6-15)9-20-29-30-21(33-20)34-11-19(32)28-17-10-16(22(23,24)25)7-8-18(17)31-13-26-12-27-31/h2-8,10,12-14H,9,11H2,1H3,(H,28,32).
What are the key properties of 2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 488.50 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 112786655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).