N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]-2-oxoethyl]sulfanylpropanamide

C20H20F3N5O3S — CID 55503347

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]-2-oxoethyl]sulfanylpropanamide
SMILESCc1cc(NC(=O)CSC(C)C(=O)Nc2cc(C)on2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H20F3N5O3S/c1-11-7-17(28(26-11)15-6-4-5-14(9-15)20(21,22)23)25-18(29)10-32-13(3)19(30)24-16-8-12(2)31-27-16/h4-9,13H,10H2,1-3H3,(H,25,29)(H,24,27,30)
InChIKeyUGXGAICIYFLPDV-UHFFFAOYSA-N
MW467.47 g/mol
LogP4.19
Rot. Bonds7

About N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]-2-oxoethyl]sulfanylpropanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]-2-oxoethyl]sulfanylpropanamide (PubChem CID 55503347) has the molecular formula C20H20F3N5O3S and a molecular weight of 467.47 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]-2-oxoethyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]-2-oxoethyl]sulfanylpropanamide
PubChem CID55503347
Molecular FormulaC20H20F3N5O3S
Molecular Weight467.47 g/mol
Exact Mass467.12
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]-2-oxoethyl]sulfanylpropanamide
SMILESCc1cc(NC(=O)CSC(C)C(=O)Nc2cc(C)on2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H20F3N5O3S/c1-11-7-17(28(26-11)15-6-4-5-14(9-15)20(21,22)23)25-18(29)10-32-13(3)19(30)24-16-8-12(2)31-27-16/h4-9,13H,10H2,1-3H3,(H,25,29)(H,24,27,30)
InChIKeyUGXGAICIYFLPDV-UHFFFAOYSA-N
XLogP4.19
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]-2-oxoethyl]sulfanylpropanamide 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

N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanamide
CID 24982758
(2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7733721
(2S)-2-[2-(3-ethylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7935200
2-[2-[[1-benzyl-3-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112819344
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylacetamide
CID 24979159
2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55520422
2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51074464
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-phenylhydrazinyl)ethyl]sulfanylpropanamide
CID 78774726
N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55574732
(2R)-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40600148
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylpropanamide
CID 40882881
2-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119440797

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]-2-oxoethyl]sulfanylpropanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]-2-oxoethyl]sulfanylpropanamide (CID 55503347) is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]-2-oxoethyl]sulfanylpropanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]-2-oxoethyl]sulfanylpropanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]-2-oxoethyl]sulfanylpropanamide is Cc1cc(NC(=O)CSC(C)C(=O)Nc2cc(C)on2)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]-2-oxoethyl]sulfanylpropanamide?
The InChIKey is UGXGAICIYFLPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3S/c1-11-7-17(28(26-11)15-6-4-5-14(9-15)20(21,22)23)25-18(29)10-32-13(3)19(30)24-16-8-12(2)31-27-16/h4-9,13H,10H2,1-3H3,(H,25,29)(H,24,27,30).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]-2-oxoethyl]sulfanylpropanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]-2-oxoethyl]sulfanylpropanamide has a molecular weight of 467.47 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]-2-oxoethyl]sulfanylpropanamide is sourced from PubChem (CID 55503347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).